SCHEMBL6311304

SCHEMBL6311304

O=C(NC1CC2CC1CN2)c1ccc(Sc2cncs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
EZH2 Q15910 1/20 0.34
PANK3 Q9H999 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.30

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
SCHEMBL6306749 0.84 CHRNA7 (0.40) CHRNA7EZH2PANK3
SCHEMBL6311035 0.81 CHRNA7 (0.38) CHRNA7EZH2
SCHEMBL6303417 0.81 CHRNA7 (0.34) CHRNA7EZH2PANK3
SCHEMBL7120724 0.81 CHRNA7 (0.36) CHRNA7EZH2CYP46A1
SCHEMBL6303374 0.81 CHRNA7 (0.56) CHRNA7EZH2
SCHEMBL6303946 0.80 CHRNA7 (0.39) CHRNA7EZH2PANK3CYP46A1
SCHEMBL6303479 0.80 CHRNA7 (0.39) CHRNA7EZH2PANK3
SCHEMBL6311170 0.80 F10 (0.40) CHRNA7EZH2
SCHEMBL6310723 0.80 CHRNA7 (0.46) CHRNA7EZH2
SCHEMBL6311950 0.79 CHRNA7 (0.38) CHRNA7EZH2CYP46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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 4701/4885PANK3 2620/4885

“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.