SCHEMBL1283590

SCHEMBL1283590

CC(C)Cc1nc(-c2ccc(OC(C=O)N3CCN(c4ccncc4)CC3)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.43
HRH1 P35367 3/20 0.37
HRH3 Q9Y5N1 3/20 0.37
HRH2 P25021 2/20 0.37
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KCNH2 Q12809 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
LTA4H P09960 2/20 0.32
AKR1C3 P42330 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GRM5 P41594 1/20 0.32
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL1283977 0.82 HRH3 (0.55) AGERHRH1HRH3HRH2KCNH2
SCHEMBL1283365 0.82 ENPP2 (0.49) AGERHRH1HRH3HRH2ITGB3
SCHEMBL14205737 0.80 GRM5 (0.48) AGERHRH1HRH3HRH2ITGB3
SCHEMBL1283049 0.78 AGER (0.52) AGERKCNH2
SCHEMBL1283582 0.75 AGER (0.72) AGERLTA4H
SCHEMBL1283673 0.75 AGER (0.57) AGERKCNH2LTA4HMAPT
SCHEMBL6896466 0.74 AGER (0.51) AGERHRH1HRH3HRH2MAPT
SCHEMBL1283344 0.73 AGER (0.55) AGERHRH1HRH3HRH2MAPT
SCHEMBL1284194 0.73 AGER (0.53) AGERHRH1HRH3HRH2MAPT
SCHEMBL1283498 0.73 AGER (0.55) AGERHRH1HRH3HRH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 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-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B AGER 1/4885HRH1 1638/4885HRH3 1008/4885

“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.