SCHEMBL2222704

SCHEMBL2222704

CCN(C(=O)O)c1cccc(Cc2nn(-c3ccc(OC)nc3)ccc2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OXTR P30559 15/20 0.40
OPRM1 P35372 1/20 0.35
AVPR1A P37288 2/20 0.35
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AVPR2 P30518 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL2221216 0.93 OXTR (0.35) OXTROPRM1TP53PPARGPPARA
SCHEMBL2220848 0.85 TP53 (0.43) TP53RXFP1
SCHEMBL2220117 0.85 CYP2C9 (0.41) OPRM1TP53RXFP1
SCHEMBL2268157 0.83 TP53 (0.36) TP53RXFP1
SCHEMBL2365403 0.83 OPRM1 (0.38) OPRM1TP53RXFP1PPARGPPARA
SCHEMBL13274535 0.82 TP53 (0.37) TP53RXFP1
SCHEMBL2220259 0.82 TP53 (0.36) TP53RXFP1
SCHEMBL2222072 0.82 MEN1 (0.39) OPRM1TP53RXFP1
SCHEMBL2221942 0.81 ENPP2 (0.35) TP53RXFP1
SCHEMBL13274683 0.81 ACSS2 (0.41) OPRM1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 OXTR 4586/4885OPRM1 2711/4885AVPR1A 4857/4885

“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.