SCHEMBL1621879

SCHEMBL1621879

Cc1ccc(NC(=O)NC(=O)c2ccccc2)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 3/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
EPHX1 P07099 1/20 0.48
KCNMA1 Q12791 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALOX12 P18054 1/20 0.45
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
POLB P06746 1/20 0.44
CXCR2 P25025 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
SCHEMBL1622373 0.90 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL1620748 0.83 KDM4E (0.65) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL28312047 0.81 RAB9A (0.49) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL22980063 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL28454808 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL23048315 0.78 KCNMA1 (0.64) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL1622875 0.77 RAB9A (0.55) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL16088610 0.77 KMT2A (0.55) ALDH1A1KDM4EGAAHPGDRAB9A
SCHEMBL1622029 0.77 EPHX1 (0.61) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL14796740 0.77 POLB (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
US-9603848-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2017-03-28 US disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
US-8541421-B2 Methods of enhancing sweet taste of compositions using substituted thieno{2,3-D}pyrimidines SENOMYX INC. (US) 2013-09-24 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110230502-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2011-09-22 US disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
US-7928111-B2 Compounds including substituted thienopyrimidinone derivatives as ligands for modulating chemosensory receptors SENOMYX, INC. (US) 2011-04-19 US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US 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 (5 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-20110230502-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 ALDH1A1 4103/4885KDM4E 4397/4885GAA 4767/4885
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 ALDH1A1 4103/4885KDM4E 4397/4885GAA 4767/4885
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885KDM4E 4555/4885GAA 3792/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 ALDH1A1 4103/4885KDM4E 4397/4885GAA 4767/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885KDM4E 4555/4885GAA 3792/4885

“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.