SCHEMBL1717317

SCHEMBL1717317

CCOc1ccc(CC)cc1-c1csc(NC(=O)c2ccc(C(=O)NC[C@@H]3CCCN3CC)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.53
ABCG2 Q9UNQ0 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
MCHR2 Q969V1 1/20 0.44
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL1717089 1.00 DRD2 (0.53) DRD2ABCG2KDM4ECYP1A2MCHR2
SCHEMBL1717318 1.00 DRD2 (0.53) DRD2ABCG2KDM4ECYP1A2MCHR2
SCHEMBL1717261 0.89 DRD2 (0.44) DRD2ABCG2KDM4ECYP1A2MCHR2
SCHEMBL2982123 0.89 DRD2 (0.44) DRD2ABCG2KDM4ECYP1A2MCHR2
SCHEMBL2984590 0.86 DRD2 (0.56) DRD2ABCG2KDM4EALDH1A1LMNA
SCHEMBL1717072 0.86 DRD2 (0.56) DRD2ABCG2KDM4EALDH1A1LMNA
SCHEMBL5785661 0.84 DRD2 (0.51) DRD2ABCG2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL2977334 0.84 DRD2 (0.51) DRD2ABCG2KDM4EALDH1A1LMNA
SCHEMBL1717406 0.82 DRD2 (0.50) DRD2ABCG2KDM4EALDH1A1LMNA
SCHEMBL1718814 0.82 DRD2 (0.50) DRD2ABCG2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656373-B1 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINEANTAGONISTS SANOFI SA (FR) 2012-01-18 EP claimed
EP-1656373-B1 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINEANTAGONISTS SANOFI SA (FR) 2012-01-18 EP disclosed
US-7777041-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-17 US disclosed
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
US-7504511-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-03-17 US disclosed
US-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-06-22 US disclosed
EP-1656373-A2 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINEANTAGONISTS Sanofi-Aventis (FR) 2006-05-17 EP disclosed
WO-2004096798-A2 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINE ANTAGONISTS SANOFI-AVENTIS (FR) 2004-11-11 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 (2 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-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof PAH, ABAT, AADAT DRD2 4471/4885ABCG2 60/4885KDM4E 1082/4885
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF PAH, ABAT, AADAT DRD2 4471/4885ABCG2 60/4885KDM4E 1082/4885

“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.