Acetamide

Acetamide

SCHEMBL9934071

CC(N)=O.c1cc2cnc[nH]c-2n1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.37
CDK8 P49336 5/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PIK3C3 Q8NEB9 4/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CPB2 Q96IY4 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34

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
Urea SCHEMBL15380857 0.93 ALDH1A1 (0.38) CCNCCDK8KDM4EALDH1A1MKNK1
SCHEMBL64926 0.86
Hydrochloric Acid SCHEMBL310787 0.84 CYP3A4 (0.42) KDM4EALDH1A1CYP2E1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL311521 0.84 CYP3A4 (0.42) KDM4EALDH1A1CYP2E1CYP3A4CYP2D6
SCHEMBL30945055 0.84 CYP3A4 (0.42) ALDH1A1CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL7500298 0.84 CYP3A4 (0.42) ALDH1A1CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL15880175 0.82 CYP3A4 (0.39) KDM4EALDH1A1CYP2E1CYP3A4CYP2D6
Formaldoxime SCHEMBL4910460 0.79 CYP3A4 (0.37) KDM4EALDH1A1CYP2E1CYP3A4CYP2D6
Hexane SCHEMBL28298905 0.78 CYP2D6 (0.46) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL28294876 0.75 HRH3 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655377-B1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS SA (CH) 2016-03-30 EP disclosed
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 US disclosed
CN-103261201-B 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS SA 2015-04-22 CN 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-8592398-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-11-26 US disclosed
EP-2655377-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS Glenmark Pharmaceuticals S.A. (CH) 2013-10-30 EP disclosed
CN-103261201-A 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS SA 2013-08-21 CN disclosed
WO-2012085662-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-28 WO disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 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 (3 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-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 CCNC 4458/4885CDK8 2034/4885KDM4E 4035/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 CCNC 4394/4885CDK8 2553/4885KDM4E 4154/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 CCNC 4394/4885CDK8 2553/4885KDM4E 4154/4885

“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.