SCHEMBL6303261

SCHEMBL6303261

O=C(NC1CC2CNC1C2)c1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
EZH2 Q15910 1/20 0.39
CNR2 P34972 1/20 0.38
PRKCB P05771 8/20 0.36
PRKCA P17252 7/20 0.36
PRKCE Q02156 7/20 0.36
PRKCG P05129 5/20 0.36
PRKCH P24723 5/20 0.36
PRKCD Q05655 5/20 0.36
PRKCZ Q05513 2/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
CYP3A4 P08684 2/20 0.35
NR1H2 P55055 1/20 0.35
HTT P42858 1/20 0.34
PANK3 Q9H999 1/20 0.33
MPO P05164 1/20 0.33
KDM5A P29375 1/20 0.33
BLM P54132 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL6303465 0.90 CHRNA7 (0.52) CHRNA7EZH2CYP3A4
SCHEMBL6305921 0.89 HPGD (0.46) CHRNA7EZH2CYP3A4HTTPANK3
SCHEMBL6305281 0.89 DDB1 (0.43) CHRNA7EZH2CYP3A4HTTPANK3
SCHEMBL6310174 0.89 TRPV1 (0.44) CHRNA7EZH2GRM2GRM3TRPV1
SCHEMBL6305910 0.89 CHRNA7 (0.40) CHRNA7EZH2CYP3A4HTTPANK3
SCHEMBL6303188 0.89 CHRNA7 (0.42) CHRNA7EZH2PRKCBPRKCAPRKCE
SCHEMBL6305491 0.86 CNR2 (0.43) CHRNA7EZH2CNR2GRM2GRM3
SCHEMBL6303219 0.85 MMP2 (0.43) EZH2CNR2PRKCBPRKCAPRKCE
SCHEMBL6304940 0.85 CHRNA7 (0.40) CHRNA7EZH2HTTPANK3
SCHEMBL6303176 0.85 CHRNA7 (0.40) CHRNA7EZH2PRKCBPRKCAPRKCE

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
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
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 CHRNA7 2937/4885EZH2 4701/4885CNR2 986/4885

“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.