SCHEMBL655982

SCHEMBL655982

O=C(C=Cc1ccc(Cl)cc1)c1cccc(F)c1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.84
MAOB P27338 7/20 0.67
MET P08581 1/20 0.65
PTGS2 P35354 1/20 0.65
CYP1B1 Q16678 1/20 0.58
MAPT P10636 2/20 0.57
CXCL12 P48061 2/20 0.56
MAOA P21397 3/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
RECQL P46063 1/20 0.54
ATM Q13315 1/20 0.54
TNFRSF1A P19438 1/20 0.54
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL655981 1.00 RELA (0.84) RELAMAOBMETPTGS2CYP1B1
SCHEMBL5597988 0.86 RELA (0.66) RELAMAOBCYP1B1MAPTMAOA
SCHEMBL8987205 0.86 MAOB (0.68) RELAMAOBCYP1B1MAPTMAOA
SCHEMBL17492426 0.86 MAOB (0.73) RELAMAOBMETPTGS2CYP1B1
SCHEMBL8987207 0.86 MAOB (0.68) RELAMAOBCYP1B1MAPTMAOA
SCHEMBL17492427 0.86 MAOB (0.73) RELAMAOBMETPTGS2CYP1B1
SCHEMBL3836785 0.84 RELA (0.68) RELAMAOBCYP1B1MAPTMAOA
SCHEMBL3836781 0.84 RELA (0.68) RELAMAOBCYP1B1MAPTMAOA
SCHEMBL8236045 0.83 P4HB (0.73) RELAMAOBCYP1B1MAPTCXCL12
SCHEMBL8236049 0.83 P4HB (0.73) RELAMAOBCYP1B1MAPTCXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB RELA 2328/4885MAOB 4512/4885MET 1864/4885

“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.