SCHEMBL2079592

SCHEMBL2079592

CC(=O)c1cccc(/N=C2/SCC(=O)N2Cc2ccco2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 4/20 0.51
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA9 Q16790 1/20 0.43
FAAH O00519 2/20 0.42

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
SCHEMBL12775391 1.00 MEN1 (0.60) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL2079598 1.00 MEN1 (0.60) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL2340642 0.81 KMT2A (0.53) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL2340650 0.81 KMT2A (0.53) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL2333590 0.80 MEN1 (0.54) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL2333596 0.80 MEN1 (0.54) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL2080440 0.80 MEN1 (0.58) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL2080442 0.80 MEN1 (0.58) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL2340400 0.78 MAPT (0.58) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL2340397 0.78 MAPT (0.58) MEN1KMT2APOLBALDH1A1LMNA

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-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
EP-1776112-A2 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-25 EP disclosed
WO-2006020680-A2 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-23 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-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents CNR1, CNR2, TACR2 MEN1 2621/4885KMT2A 4438/4885POLB 4298/4885

“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.