SCHEMBL1622375

SCHEMBL1622375

COc1ccc(C#N)c(NC(=O)NC(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.59
RAB9A P51151 12/20 0.59
KCNK9 Q9NPC2 2/20 0.48
KCNK3 O14649 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NLRP3 Q96P20 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
F10 P00742 1/20 0.46

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 0.84 ALDH1A1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1622875 0.82 RAB9A (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22979033 0.80 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1620748 0.80 KDM4E (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL28311168 0.78 RAB9A (0.49) NPC1RAB9AMEN1KMT2A
SCHEMBL1621879 0.76 ALDH1A1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1623124 0.76 NPC1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1336413 0.76 MEN1 (0.69) NPC1RAB9AKCNK9KCNK3MEN1
SCHEMBL1622747 0.74 RAB9A (0.71) NPC1RAB9AKCNK9KCNK3MEN1
SCHEMBL1620743 0.74 RAB9A (0.60) NPC1RAB9AKCNK9KCNK3MEN1

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
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
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
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

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 3534/4885KCNK9 3511/4885
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885KCNK9 3206/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 NPC1 3785/4885RAB9A 3534/4885KCNK9 3511/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885KCNK9 3206/4885

“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.