SCHEMBL1623124

SCHEMBL1623124

N#Cc1cc2c(cc1NC(=O)NC(=O)c1ccccc1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.54
RAB9A P51151 11/20 0.54
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
ALOX12 P18054 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.44
PTGS2 P35354 1/20 0.44
CCR2 P41597 1/20 0.44
TDP1 Q9NUW8 2/20 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
SCHEMBL30388409 0.90 NPC1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL17622458 0.78 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1620748 0.77 KDM4E (0.65) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1622875 0.77 RAB9A (0.55) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1621879 0.76 ALDH1A1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL1622373 0.76 ALDH1A1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL1622375 0.76 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL28311168 0.73 RAB9A (0.49) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL28312047 0.73 RAB9A (0.49) NPC1RAB9AALDH1A1HPGDKMT2A
SCHEMBL12098605 0.70 MAPT (0.72) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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 12 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
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
US-20080306053-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 (4 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 NPC1 3785/4885RAB9A 3534/4885ALDH1A1 4103/4885
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885ALDH1A1 4242/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 NPC1 3785/4885RAB9A 3534/4885ALDH1A1 4103/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885ALDH1A1 4242/4885

“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.