SCHEMBL9964038

SCHEMBL9964038

CCC(=O)c1ncccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PAK1 Q13153 1/20 0.42
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40

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
SCHEMBL20819374 0.83 CTNNB1 (0.49) CTNNB1WNT3ANPC1RAB9AMAPT
SCHEMBL2380013 0.81 CTNNB1 (0.48) CTNNB1WNT3ANPC1RAB9AMAPT
Bromide SCHEMBL6111604 0.80 CTNNB1 (0.47) CTNNB1WNT3ANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL6110118 0.80 CTNNB1 (0.47) CTNNB1WNT3ANPC1RAB9AMAPT
SCHEMBL10558229 0.80 CTNNB1 (0.44) CTNNB1WNT3ANPC1RAB9AMAPT
SCHEMBL5312789 0.79 BRD4 (0.43) CTNNB1WNT3ANPC1RAB9AMAPT
SCHEMBL8237045 0.79 EGLN2 (0.51) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL14697792 0.79 BRD4 (0.48) CTNNB1WNT3ANPC1RAB9AMAPT
SCHEMBL15988841 0.79 CTNNB1 (0.56) CTNNB1WNT3ANPC1RAB9AMAPT
SCHEMBL365395 0.79 ALDH1A1 (0.45) CTNNB1WNT3ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
EP-3202761-B1 PYRIDAZINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2022-03-16 EP disclosed
CN-107074779-B Pyridazine compounds 住友化学株式会社 2020-05-01 CN disclosed
US-9924719-B2 Pyridazine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-27 US disclosed
US-20170295787-A1 PYRIDAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
EP-3202761-A1 PYRIDAZINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-08-09 EP disclosed
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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 (2 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-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 CTNNB1 1836/4885WNT3A 3177/4885NPC1 243/4885
US-20170295787-A1 PYRIDAZINE COMPOUND C5, C3AR1, H1-3 CTNNB1 2095/4885WNT3A 1328/4885NPC1 2335/4885

“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.