SCHEMBL1464693

SCHEMBL1464693

Nc1c(F)cc([N+](=O)[O-])cc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
CYP3A4 P08684 2/20 0.67
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GLA P06280 1/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
CTSB P07858 1/20 0.42
LMNA P02545 1/20 0.42
CYP19A1 P11511 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 1/20 0.40
ESPL1 Q14674 1/20 0.39
NQO2 P16083 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL29973143 1.00 ALDH1A1 (0.67) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL2785910 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4POLBHTTLMNA
SCHEMBL219209 0.86 ALDH1A1 (0.80) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL11349866 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4GLAPOLBHTT
SCHEMBL9751253 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4POLBHTTLMNA
Nitrogen SCHEMBL28796026 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL2383502 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4GLAHTTLMNA
SCHEMBL29448460 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4GLAPOLBHTT
SCHEMBL29974850 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4GLAHTTLMNA
SCHEMBL909587 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4GLAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-03-30 US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US disclosed
US-20220386606-A1 SPECIFICALLY SUBSTITUTED 3-PHENYL-5-SPIROCYCLOPENTYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 US disclosed
EP-3938347-A1 SPECIFICALLY SUBSTITUTED 3-PHENYL-5-SPIROCYCLOPENTYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2022-01-19 EP disclosed
CN-101460489-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2009-06-17 CN 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
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 (8 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-20220386606-A1 SPECIFICALLY SUBSTITUTED 3-PHENYL-5-SPIROCYCLOPENTYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES DDT, HPD, AGPS ALDH1A1 225/4885CYP3A4 1032/4885CA1 2761/4885
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885CYP3A4 1368/4885CA1 4884/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885CYP3A4 1368/4885CA1 4884/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 ALDH1A1 1620/4885CYP3A4 950/4885CA1 4879/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885CYP3A4 1368/4885CA1 4884/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885CYP3A4 1368/4885CA1 4884/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885CYP3A4 1368/4885CA1 4884/4885
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 2459/4885CA1 4879/4885

“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.