SCHEMBL8402291

SCHEMBL8402291

CCC(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
ELOVL1 Q9BW60 2/20 0.72
NPC1 O15118 1/20 0.70
CASP3 P42574 1/20 0.70
RAB9A P51151 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
PARP1 P09874 1/20 0.69
SLC12A2 P55011 1/20 0.67
SLC12A5 Q9H2X9 1/20 0.67
MAPK1 P28482 2/20 0.66
HDAC3 O15379 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66

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
SCHEMBL14085825 0.87 HDAC1 (0.67) MAPTNPC1RAB9AHDAC1HDAC9
SCHEMBL28594556 0.87 CSNK2A1 (0.67) MAPTELOVL1NPC1RAB9AMAPK1
SCHEMBL225327 0.87 ELOVL1 (0.74) MAPTELOVL1NPC1CASP3RAB9A
SCHEMBL10352164 0.86 MAPT (0.62) MAPTELOVL1NPC1CASP3RAB9A
SCHEMBL14085829 0.86 MAPT (0.75) MAPTNPC1RAB9AUSP2ALDH1A1
SCHEMBL14085826 0.86 KMT2A (0.74) MAPTNPC1RAB9AMAPK1HDAC1
SCHEMBL1357607 0.85 ELOVL1 (0.72) MAPTELOVL1NPC1CASP3RAB9A
SCHEMBL2452315 0.85 ELOVL1 (0.72) MAPTELOVL1NPC1CASP3RAB9A
SCHEMBL21224224 0.85 ELOVL1 (0.72) MAPTELOVL1NPC1CASP3RAB9A
SCHEMBL24026399 0.85 RAB9A (0.74) MAPTNPC1CASP3RAB9ASENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024027807-A1 USE OF AMINOTHIAZOLE DERIVATIVE IN PREPARING DRUG FOR IMMUNOLOGICAL INFLAMMATION 宁波亿诺药业有限公司 2024-02-08 WO disclosed
CN-115335373-A Compound and use thereof 福宏治疗公司 2022-11-11 CN disclosed
WO-2019201867-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
WO-2016179558-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-10 WO disclosed
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 US disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 US disclosed
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-20 US disclosed
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-13 US disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
WO-2007025751-A1 USE OF FUSED IMIDAZOLE DERIVATIVES TO MEDIATE CCR3 RELATED CONDITIONS NOVARTIS AG (CH) 2007-03-08 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 (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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPT 4331/4885ELOVL1 2044/4885NPC1 1689/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPT 3944/4885ELOVL1 1389/4885NPC1 1779/4885
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions CCR3, CCR1, CCR4 MAPT 3034/4885ELOVL1 2991/4885NPC1 281/4885
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 MAPT 857/4885ELOVL1 2157/4885NPC1 573/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 MAPT 864/4885ELOVL1 1998/4885NPC1 547/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 MAPT 2802/4885ELOVL1 3367/4885NPC1 4395/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 MAPT 864/4885ELOVL1 1998/4885NPC1 547/4885

“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.