SCHEMBL2082009

SCHEMBL2082009

CCNc1ccc(C(C)=O)cc1N

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.76
ALDH1A1 P00352 3/20 0.76
GAA P10253 3/20 0.76
MAPT P10636 3/20 0.76
THRB P10828 1/20 0.76
HPGD P15428 1/20 0.76
HTT P42858 1/20 0.76
GFER P55789 1/20 0.76
PLEC Q15149 1/20 0.76
PRKCI P41743 1/20 0.67
CREBBP Q92793 1/20 0.53
PTGER4 P35408 4/20 0.50
PRSS1 P07477 9/20 0.47
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
ALOX15 P16050 1/20 0.45
HCAR3 P49019 1/20 0.44

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
SCHEMBL1731245 0.86 GAA (1.00) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL3063269 0.86 KDM4E (0.57) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL1543144 0.83 GAA (0.71) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL3440911 0.82 PRKCI (0.61) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL14800323 0.81 PTGER4 (0.73) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL21310896 0.81 PRKCI (0.64) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL1643562 0.81 MAPT (0.50) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL2245773 0.80 PRKCI (1.00) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL3070660 0.80 HTT (0.58) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL7224988 0.80 PRKCI (0.58) KDM4EALDH1A1GAAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
US-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US disclosed
US-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US disclosed
US-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US disclosed
US-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
US-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
US-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
EP-1776112-A2 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-25 EP disclosed
US-7115640-B2 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. (US) 2006-10-03 US disclosed
WO-2006020680-A2 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-23 WO disclosed
EP-1465882-A4 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2005-04-06 EP disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20040180942-A1 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. 2004-09-16 US disclosed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 US disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 WO disclosed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 US disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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 (3 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-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KDM4E 3294/4885ALDH1A1 2884/4885GAA 3489/4885
US-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents CNR1, CNR2, TACR2 KDM4E 4779/4885ALDH1A1 1537/4885GAA 545/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KDM4E 3294/4885ALDH1A1 2884/4885GAA 3489/4885

“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.