SCHEMBL6311196

SCHEMBL6311196

NC(=O)c1ccc(Sc2ccc(C(=O)NC3CC4CC3CN4)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
EZH2 Q15910 1/20 0.41
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
HTT P42858 1/20 0.33
PANK3 Q9H999 1/20 0.33
EPHX2 P34913 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6311910 0.91 CHRNA7 (0.43) CHRNA7EZH2KDM1AMAOATDP1
SCHEMBL6306561 0.90 CHRNA7 (0.46) CHRNA7EZH2HTTPANK3EPHX2
SCHEMBL6303374 0.90 CHRNA7 (0.56) CHRNA7EZH2EPHX2TDP1NPC1
SCHEMBL6310723 0.89 CHRNA7 (0.46) CHRNA7EZH2CYP3A4
SCHEMBL6311528 0.88 CHRNA7 (0.46) CHRNA7EZH2TDP1NPC1RAB9A
SCHEMBL6305855 0.88 HPGD (0.46) CHRNA7EZH2HTTPANK3EPHX2
SCHEMBL6303244 0.87 SIRT1 (0.47) CHRNA7EZH2EPHX2TDP1KDM4E
SCHEMBL6305759 0.85 PARP10 (0.46) EZH2MEN1KMT2A
SCHEMBL6303588 0.85 CHRNA7 (0.44) CHRNA7EZH2
SCHEMBL6304749 0.85 CHRNA7 (0.43) CHRNA7EZH2NPC1RAB9ASMN1; SMN2

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 5 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
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 (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 CHRNA7 2937/4885EZH2 4701/4885KDM1A 2454/4885

“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.