SCHEMBL657273

SCHEMBL657273

O=C(C=Cc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.65
MAOB P27338 4/20 0.57
MAOA P21397 1/20 0.57
ABCG2 Q9UNQ0 3/20 0.55
APP P05067 1/20 0.52
AKR1C3 P42330 1/20 0.52
GSK3B P49841 1/20 0.51
BACE1 P56817 1/20 0.51
CYP1B1 Q16678 1/20 0.50
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL657272 1.00 CYSLTR1 (0.65) CYSLTR1MAOBMAOAABCG2APP
SCHEMBL658208 0.91 ABCG2 (0.57) MAOBABCG2APPGSK3BBACE1
SCHEMBL658207 0.91 ABCG2 (0.57) MAOBABCG2APPGSK3BBACE1
SCHEMBL25202012 0.87 MAOB (0.59) CYSLTR1MAOBABCG2APPGSK3B
SCHEMBL31233096 0.87 MAOB (0.59) CYSLTR1MAOBABCG2APPGSK3B
SCHEMBL25191756 0.83 NFKB1 (0.58) MAOBMAOAABCG2APPAKR1C3
SCHEMBL25221855 0.82 MAOA (0.63) CYSLTR1MAOBMAOAAPPAKR1C3
SCHEMBL25198653 0.82 MAOA (0.63) CYSLTR1MAOBMAOAAPPAKR1C3
SCHEMBL30382955 0.82 MAOA (0.63) CYSLTR1MAOBMAOAAPPAKR1C3
SCHEMBL31233224 0.82 MAOA (0.63) CYSLTR1MAOBMAOAAPPAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US claimed
EP-1623704-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-08 EP claimed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
WO-2011097594-A2 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION KINAGEN, INC. (US) 2011-08-11 WO disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US disclosed
EP-1623704-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-08 EP 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 (2 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB CYSLTR1 4346/4885MAOB 4512/4885MAOA 4177/4885
US-20070092551-A1 Therapeutic agent FABP4, GPR119, IAPP CYSLTR1 4714/4885MAOB 4382/4885MAOA 4344/4885

“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.