Sugi Predict

Sugi Predict / Compounds / SCHEMBL351739

SCHEMBL351739

SCHEMBL351739

Nc1cc(F)c([N+](=O)[O-])cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CTSB P07858 1/20 0.46
▸ TDP1 Q9NUW8 5/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HIF1A Q16665 1/20 0.44
▸ VCAM1 P19320 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ESPL1 Q14674 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL431211 0.92 ALDH1A1 (0.47) ALDH1A1CYP3A4CTSBTDP1ATM
SCHEMBL240941 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4CTSBTDP1ATM
SCHEMBL18905090 0.84 TDP1 (0.52) ALDH1A1CYP3A4CTSBTDP1ATM
SCHEMBL29595940 0.84 TDP1 (0.52) ALDH1A1CYP3A4TDP1ATMHIF1A
SCHEMBL3990674 0.84 TDP1 (0.52) ALDH1A1CYP3A4TDP1ATMHIF1A
SCHEMBL8002989 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBTDP1MAPT
SCHEMBL564506 0.84 TDP1 (0.52) ALDH1A1CYP3A4TDP1ATMHIF1A
SCHEMBL30110723 0.84 TDP1 (0.52) ALDH1A1CYP3A4TDP1ATMHIF1A
SCHEMBL7335 0.82 ATM (0.55) ALDH1A1CYP3A4CTSBTDP1ATM
SCHEMBL8698196 0.82 TDP1 (0.50) ALDH1A1CYP3A4TDP1ATMHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 386 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627655-B Synthetic method of 2-bromo-5-fluoro-4-nitroaniline and intermediate thereof 苏州旺山旺水生物医药有限公司 2022-09-20 — — CN claimed
CN-113121358-A Preparation method of 2-bromo-5-fluoro-4-nitroaniline 阜新金特莱氟化学有限责任公司 2021-07-16 — — CN claimed
WO-2021140525-A1 NOVEL CRYSTALLINE FORM OF 1-(2,2-DIFLUORO-2H-1,3BENZO DIOXOL-5-YL)-N-{1-[(2R)-2,3-DIHYDROXYPROPYL]-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL}CYCLOPROPANE-1-CARBOXAMIDE AND ITS PROCESS FOR THE PREPARATION THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2021-07-15 — — WO claimed
CN-110627655-A Synthetic method and intermediate of 2-bromo-5-fluoro-4-nitroaniline 苏州旺山旺水生物医药有限公司 2019-12-31 — — CN claimed
US-12577236-B2 Processes for preparation of Tezacaftor LAURUS LABS LIMITED (IN) 2026-03-17 — — US disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 — — US disclosed
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 — — US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 — — US disclosed
US-20230331712-A1 SOLID FORMS OF (R)-1(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-19 — — US disclosed
US-20230331712-A1 SOLID FORMS OF (R)-1(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-19 — — US disclosed
US-20230331712-A1 SOLID FORMS OF (R)-1(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-19 — — US disclosed
EP-4253381-A2 SOLID FORMS OF (R)-1-(2,2-DIFLUOROBENZO[D][1,3]D IOXOL-5-YL)-N-(1-(2,3-DIHYDROXYP ROPYL)-6-FLUORO-2-(1-HYDROXY- 2-METHYLPROPAN-2-YL)-1H-INDOL- 5-YL) CYCLOPROPANECARBOXAMIDE Vertex Pharmaceuticals Incorporated (US) 2023-10-04 — — EP disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — US disclosed
EP-2007756-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmceuticals Incorporated (US) 2008-12-31 — — EP disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 — — WO disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 — — WO disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 — — US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 — — US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12577236-B2 Processes for preparation of Tezacaftor CYP4A11, F9, CYP3A4 ALDH1A1 189/4885CYP3A4 3/4885CTSB 4278/4885
US-20230331712-A1 SOLID FORMS OF (R)-1(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR1A, HTR1D ALDH1A1 287/4885CYP3A4 291/4885CTSB 2101/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885CYP3A4 1368/4885CTSB 1052/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 ALDH1A1 1620/4885CYP3A4 950/4885CTSB 2911/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885CYP3A4 4267/4885CTSB 2363/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 ALDH1A1 3137/4885CYP3A4 2459/4885CTSB 2911/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.