SCHEMBL6305992

SCHEMBL6305992

NC(=O)c1cccc(Oc2ccc(C(=O)NC3CC4CC3CN4)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.54
PARP14 Q460N5 7/20 0.54
TNKS O95271 1/20 0.54
PARP15 Q460N3 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
PARP2 Q9UGN5 1/20 0.54
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.44
CHEK2 O96017 1/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
EZH2 Q15910 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
F2 P00734 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL6305759 0.91 PARP10 (0.46) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL6303164 0.89 NPC1 (0.46) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL6311303 0.88 MMP2 (0.43) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL6303274 0.88 NPC1 (0.60) NPC1PKMMMP2MMP7MMP9
SCHEMBL6311929 0.86 MMP2 (0.55) NPC1PKMMMP2MMP7MMP9
SCHEMBL6310487 0.86 GRM5 (0.43) NPC1PKMMMP2MMP7MMP9
SCHEMBL6305684 0.86 HTR2C (0.45) NPC1PKMMMP2MMP7MMP9
SCHEMBL6309407 0.86 PGR (0.49) NPC1PKMMMP2MMP7MMP9
SCHEMBL6303539 0.85 MMP13 (0.43) NPC1PKMMMP2MMP7MMP9
SCHEMBL6311541 0.84 MMP13 (0.44) PARP10NPC1MMP2MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (1 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 PARP10 3253/4885PARP14 4040/4885TNKS 4180/4885

“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.