SCHEMBL2220848

SCHEMBL2220848

CCN(C(=O)O)c1cccc(Cc2nn(-c3cccc(OC)c3)ccc2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ACHE P22303 1/20 0.36
HTR1B P28222 1/20 0.36
IDH1 O75874 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2365403 0.92 OPRM1 (0.38) TP53RXFP1NOTUMMEN1KMT2A
SCHEMBL2220117 0.90 CYP2C9 (0.41) TP53RXFP1MEN1KMT2APTGDR2
SCHEMBL2222072 0.89 MEN1 (0.39) TP53RXFP1MEN1KMT2AGAA
SCHEMBL2220930 0.88 MEN1 (0.38) TP53MEN1KMT2APTGDR2GAA
SCHEMBL2222704 0.85 OXTR (0.40) TP53RXFP1
SCHEMBL13274671 0.85 GRM5 (0.39) TP53NOTUMMEN1KMT2AIDH1
SCHEMBL13274535 0.85 TP53 (0.37) TP53RXFP1MEN1KMT2ALMNA
SCHEMBL2268157 0.85 TP53 (0.36) TP53RXFP1MEN1KMT2APTGDR2
SCHEMBL2220259 0.85 TP53 (0.36) TP53RXFP1MEN1KMT2ALMNA
SCHEMBL2221519 0.84 TP53 (0.35) TP53RXFP1MEN1KMT2ALMNA

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 4 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 claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
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 TP53 190/4885RXFP1 3383/4885NOTUM 4455/4885

“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.