SCHEMBL350192

SCHEMBL350192

Nc1cc(Br)c(N)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
THRB P10828 1/20 0.39
NR4A1 P22736 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37

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
SCHEMBL6659815 0.89 ALDH1A1 (0.40) ALDH1A1POLBL3MBTL1MAPTMEN1
SCHEMBL2536617 0.86 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1MAPTMEN1
SCHEMBL29365100 0.83 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1MAPTKMT2A
SCHEMBL21597029 0.83 KDM1A (0.43) ALDH1A1POLBL3MBTL1MAPTMEN1
SCHEMBL29703386 0.83 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1MAPTKMT2A
SCHEMBL23885388 0.83 ALDH1A1 (0.40) ALDH1A1POLBL3MBTL1MAPTMEN1
SCHEMBL30053965 0.83 ALDH1A1 (0.40) ALDH1A1POLBL3MBTL1MAPTMEN1
SCHEMBL1529272 0.83 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1MAPTKMT2A
SCHEMBL275963 0.83 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1MAPTKMT2A
SCHEMBL5519306 0.82 MAPT (0.50) ALDH1A1POLBL3MBTL1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 EP disclosed
EP-3925607-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2023-06-28 EP disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 US disclosed
EP-4125874-A1 LIPOXYGENASE INHIBITORS SRI International (US) 2023-02-08 EP disclosed
CN-115335046-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-11-11 CN disclosed
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 EP disclosed
US-20130116238-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 US disclosed
CN-103038214-A Process for preparing cycloalkylcarboxamido-indole compounds VERTEX PHARMA 2013-04-10 CN disclosed
EP-2560954-A2 PROCESS OF PRODUCING CYCLOALKYLCARBOXAMIDO-INDOLE COMPOUNDS Vertex Pharmaceuticals Incorporated (US) 2013-02-27 EP disclosed
CN-102892764-A Solid forms of -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 PHARMA 2013-01-23 CN disclosed
WO-2012170061-A1 FORMULATIONS OF (R)-1-(2,2-DIFLUROBENZO[D][1,3] DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYL PROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-13 WO disclosed
WO-2012027247-A2 PHARMACEUTICAL COMPOSITION OF (R)-1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXY PROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL) CYCLOPROPANECARBOXAMIDE AND ADMINISTRATION THEROF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 WO disclosed
US-20120046330-A1 PHARMACEUTICAL COMPOSITIONS 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 AND ADMINISTRATION THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 US disclosed
WO-2011133751-A9 PROCESS OF PRODUCING CYCLOALKYLCARBOXAMIDO-INDOLE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 WO disclosed
US-20120015999-A1 FORMULATIONS 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) 2012-01-19 US disclosed
WO-2011133751-A2 PROCESS OF PRODUCING CYCLOALKYLCARBOXAMIDO-INDOLE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-27 WO 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-20130116238-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885POLB 2183/4885L3MBTL1 3601/4885
US-20120015999-A1 FORMULATIONS 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 HTR1A, HTR1D, HTR1B ALDH1A1 90/4885POLB 1985/4885L3MBTL1 4727/4885
US-20230117592-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX5 ALDH1A1 203/4885POLB 1414/4885L3MBTL1 1807/4885
US-20120046330-A1 PHARMACEUTICAL COMPOSITIONS 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 AND ADMINISTRATION THEREOF CFTR, GLI2, HTR1D ALDH1A1 463/4885POLB 2234/4885L3MBTL1 3594/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 ALDH1A1 133/4885POLB 1410/4885L3MBTL1 1916/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885POLB 3588/4885L3MBTL1 3920/4885

“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.