SCHEMBL4498149

SCHEMBL4498149

COc1cnn(C)c(=O)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 6/20 0.54
MTOR P42345 1/20 0.41
HTT P42858 3/20 0.38
KAT2B Q92831 3/20 0.38
BRD9 Q9H8M2 2/20 0.38
BPTF Q12830 1/20 0.38
GAA P10253 2/20 0.38
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL14385181 0.81 RAB9A (0.55) RAB9AL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL8281636 0.79 ALDH1A1 (0.39) RAB9AL3MBTL1SMN1; SMN2ALDH1A1MTOR
SCHEMBL22016864 0.78 ALDH1A1 (0.41) RAB9AL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL466352 0.77 ALDH1A1 (0.55) RAB9ASMN1; SMN2ALDH1A1KAT2BBRD9
SCHEMBL8283496 0.76 RAB9A (0.48) RAB9AL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL4292263 0.75 NPC1 (0.50) RAB9ASMN1; SMN2ALDH1A1MTORHTT
SCHEMBL4283780 0.75 MAPK14 (0.38) RAB9AL3MBTL1SMN1; SMN2ALDH1A1MTOR
SCHEMBL14844575 0.74 NPBWR1 (0.43) RAB9AL3MBTL1SMN1; SMN2ALDH1A1MTOR
SCHEMBL22016782 0.74 ITGA4 (0.38) RAB9AL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL22031949 0.74 KAT2B (0.39) RAB9AL3MBTL1SMN1; SMN2ALDH1A1HTT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873900-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2025-01-08 EP disclosed
CN-112969700-B Imidazopyridine derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2024-08-20 CN disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
EP-3873900-A1 IMIDAZOPYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
CN-112969700-A Imidazopyridine derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2021-06-15 CN disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US disclosed
US-7968711-B2 Isoprenyl-3-methylcyclohex-2-enyl)benzene-1,3-diol, 2-(3,5-Difluorophenyl)-5-hydroxypyridazin-3-one, 4-Bromo-2-(2,5-dichlorophenyl)-5-hydroxypyridazin-3-one; glaucoma or ocular hypertension ALLERGAN, INC. (US) 2011-06-28 US disclosed
US-7618983-B2 Bicyclic triazole α4 integrin inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 US disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2007-10-25 US disclosed
EP-1725538-B1 PYRIDAZINONE UREAS AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2007-08-29 EP disclosed
US-20060128748-A1 Bicyclic triazole alpha4 integrin inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-15 US disclosed
WO-2006052962-A2 BICYCLIC TRIAZOLE A4 INTEGRIN INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 WO disclosed
WO-2005077915-A1 PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 WO disclosed
WO-2005077914-A1 PYRIDAZINONE UREAS AS ANTAGONISTS OF α4 INTEGRINS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 WO disclosed
US-5723411-A Herbicidal pyridazinones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-03 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 (7 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-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR RAB9A 342/4885L3MBTL1 4422/4885SMN1; SMN2 4837/4885
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI POLR2E, POLR2H, POLI RAB9A 3405/4885L3MBTL1 4482/4885SMN1; SMN2 4370/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR RAB9A 686/4885L3MBTL1 4878/4885SMN1; SMN2 423/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR RAB9A 686/4885L3MBTL1 4878/4885SMN1; SMN2 423/4885
US-20060128748-A1 Bicyclic triazole alpha4 integrin inhibitors ITGA4, ITGB4, ITGB5 RAB9A 1590/4885L3MBTL1 3833/4885SMN1; SMN2 4635/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR RAB9A 686/4885L3MBTL1 4878/4885SMN1; SMN2 423/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR RAB9A 342/4885L3MBTL1 4422/4885SMN1; SMN2 4837/4885

“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.