SCHEMBL466352

SCHEMBL466352

COc1cnn(C)c(=O)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
RAB9A P51151 2/20 0.55
KAT2B Q92831 6/20 0.53
BRD9 Q9H8M2 4/20 0.53
ATM Q13315 1/20 0.52
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
BPTF Q12830 5/20 0.45
BRD4 O60885 5/20 0.45
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL20995545 0.80 ATM (0.49) ALDH1A1RAB9AKAT2BBRD9ATM
SCHEMBL22016864 0.78 ALDH1A1 (0.41) ALDH1A1RAB9AKAT2BBRD9ATM
SCHEMBL4498149 0.77 RAB9A (0.55) ALDH1A1RAB9AKAT2BBRD9ATM
SCHEMBL21511152 0.77 SMN1; SMN2 (0.57) ALDH1A1RAB9AATMMAPTNPBWR1
SCHEMBL981321 0.76 RAB9A (0.48) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL979278 0.75 KAT2B (0.60) ALDH1A1RAB9AKAT2BBRD9MAPT
SCHEMBL1375635 0.75 ALDH1A1 (0.50) ALDH1A1RAB9AMAPTGAAPKM
SCHEMBL14844549 0.74 ALDH1A1 (0.56) ALDH1A1RAB9AKAT2BBRD9MAPT
SCHEMBL513273 0.74 ALDH1A1 (0.40) ALDH1A1RAB9AKAT2BBRD9ATM
SCHEMBL22031949 0.74 KAT2B (0.39) ALDH1A1RAB9AKAT2BBRD9ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4541422-A2 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS Gilead Sciences, Inc. (US) 2025-04-23 EP disclosed
CN-119462635-A Quinoline derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2025-02-18 CN disclosed
US-20250032473-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2025-01-30 US disclosed
EP-3873884-B1 3-(QUINOLIN-8-YL)-1,4-DIHYDROPYRIDO[3,4-D]PYRIMIDIN-2,4-DIONE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2024-12-04 EP disclosed
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-112969687-B Quinoline derivatives as a4 b 7 integrin inhibitors 吉利德科学公司 2024-08-23 CN disclosed
US-12053462-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2024-08-06 US disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
EP-1720839-A1 PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-15 EP disclosed
US-20050209232-A1 Pyridazinone ureas as antagonists of alpha4 integrins JANSSEN PHARMACEUTICA,N.V. (BE) 2005-09-22 US disclosed
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 US disclosed
WO-2005077915-A1 PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 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
WO-2005077914-A1 PYRIDAZINONE UREAS AS ANTAGONISTS OF α4 INTEGRINS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 WO disclosed
EP-0352638-B1 5-Amino-6-pyridazinon-derivatives, process for their preparation and herbicidal agent containing them BASF AG (DE) 1995-02-22 EP disclosed
US-5123952-A Postemergence herbicides BASF AKTIENGESELLSCHAFT (DE) 1992-06-23 US disclosed
EP-0352638-A2 5-Amino-6-pyridazinon-derivatives, process for their preparation and herbicidal agent containing them BASF Aktiengesellschaft (DE) 1990-01-31 EP 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 (5 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-12053462-B2 Quinoline derivatives CFTR, NQO1, IRF3 ALDH1A1 476/4885RAB9A 271/4885KAT2B 754/4885
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 ALDH1A1 2707/4885RAB9A 1499/4885KAT2B 4104/4885
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins ITGB4, ITGA4, ITGB5 ALDH1A1 709/4885RAB9A 2416/4885KAT2B 3077/4885
US-20050209232-A1 Pyridazinone ureas as antagonists of alpha4 integrins ITGA4, ITGB4, ITGB7 ALDH1A1 395/4885RAB9A 2368/4885KAT2B 3121/4885
US-20250032473-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ALDH1A1 476/4885RAB9A 271/4885KAT2B 754/4885

“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.