SCHEMBL1622732

SCHEMBL1622732

N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 1.00
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
RAB9A P51151 8/20 1.00
HPGD P15428 6/20 1.00
GLA P06280 1/20 1.00
MAPT P10636 10/20 0.96
GAA P10253 4/20 0.96
MAPK10 P53779 1/20 0.79
NPC1 O15118 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
KDM4E B2RXH2 3/20 0.77
THRB P10828 1/20 0.77
LMNA P02545 2/20 0.76
TNF P01375 1/20 0.71
NOD2 Q9HC29 1/20 0.71
NOD1 Q9Y239 1/20 0.71
BLM P54132 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68

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
SCHEMBL20248980 0.99 ALDH1A1 (0.98) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL20248969 0.98 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL2416525 0.89 MAPK10 (0.82) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL3285611 0.88 MAPK10 (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL14580981 0.87 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL2416715 0.86 ALDH1A1 (0.82) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL15281388 0.86 RAB9A (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL3279220 0.84 MAPK10 (0.91) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL20248968 0.83 MAPT (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL20248975 0.83 MAPT (0.78) ALDH1A1MEN1KMT2ARAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253035-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-04-09 US disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US 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 (7 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 4103/4885MEN1 4289/4885KMT2A 4389/4885
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 ALDH1A1 4103/4885MEN1 4289/4885KMT2A 4389/4885
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885MEN1 4038/4885KMT2A 4411/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 ALDH1A1 4103/4885MEN1 4289/4885KMT2A 4389/4885
US-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 ALDH1A1 1232/4885MEN1 3656/4885KMT2A 2491/4885
US-10253035-B2 Eis inhibitors EP300, ACAT1, ACAT2 ALDH1A1 1232/4885MEN1 3656/4885KMT2A 2491/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885MEN1 4038/4885KMT2A 4411/4885

“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.