SCHEMBL2830357

SCHEMBL2830357

CC(C)(C)c1ccc(-c2csc(NC(=O)Cn3cnc4ccccc43)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.58
▸ TRPV4 Q9HBA0 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ KMT2A Q03164 6/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MGLL Q99685 1/20 0.52
▸ MAPT P10636 6/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL2831060 0.90 TRPA1 (0.58) TRPA1TRPV4ALDH1A1HSD17B10HPGD
SCHEMBL2827972 0.89 MAPT (0.59) TRPA1ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2825544 0.89 MAPT (0.64) ALDH1A1ALOX15KMT2ASMN1; SMN2KDM4E
SCHEMBL2829180 0.87 MAPT (0.60) ALDH1A1KMT2ASMN1; SMN2KDM4EMGLL
SCHEMBL2826777 0.87 NPSR1 (0.66) TRPA1TRPV4ALDH1A1HSD17B10HPGD
SCHEMBL2827630 0.86 SMN1; SMN2 (0.59) ALDH1A1KMT2ASMN1; SMN2LMNAMGLL
SCHEMBL2826708 0.83 ABL1 (0.57) TRPA1KMT2ASMN1; SMN2LMNAMGLL
SCHEMBL2825667 0.83 SMN1; SMN2 (0.63) ALDH1A1KMT2ASMN1; SMN2MGLLMAPT
SCHEMBL2827337 0.82 ABL1 (0.58) TRPA1ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2829949 0.82 MAPT (0.55) TRPA1ALDH1A1HSD17B10HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948650-B1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES USEFUL IN TREATMENT OF TRPV1 RELATED DISORDERS ORGANON NV (NL) 2010-05-26 — — EP claimed
US-20100099722-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES MSD OSS B.V. (NL) 2010-04-22 — — US claimed
EP-1948650-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES USEFUL IN TREATMENT OF TRPV1 RELATED DISORDERS N.V. Organon (NL) 2008-07-30 — — EP claimed
WO-2007054474-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES USEFUL IN TREATMENT OF TRPV1 RELATED DISORDERS N.V. ORGANON (NL) 2007-05-18 — — WO claimed
US-20070105920-A1 2-(Benzimidazol-1-Yl)-N-(4-phenylthiazol-2-yl) acetamide derivatives AKZO NOBEL N.V. (NL) 2007-05-10 — — US claimed
EP-1948650-B1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES USEFUL IN TREATMENT OF TRPV1 RELATED DISORDERS ORGANON NV (NL) 2010-05-26 — — EP disclosed
US-20100099722-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES MSD OSS B.V. (NL) 2010-04-22 — — US disclosed
EP-1948650-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES USEFUL IN TREATMENT OF TRPV1 RELATED DISORDERS N.V. Organon (NL) 2008-07-30 — — EP disclosed
WO-2007054474-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES USEFUL IN TREATMENT OF TRPV1 RELATED DISORDERS N.V. ORGANON (NL) 2007-05-18 — — WO disclosed
US-20070105920-A1 2-(Benzimidazol-1-Yl)-N-(4-phenylthiazol-2-yl) acetamide derivatives AKZO NOBEL N.V. (NL) 2007-05-10 — — 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 (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-20070105920-A1 2-(Benzimidazol-1-Yl)-N-(4-phenylthiazol-2-yl) acetamide derivatives TRPV1, TRPV3, TRPV4 TRPA1 4/4885TRPV4 3/4885ALDH1A1 825/4885
US-20100099722-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES TRPV1, TRPV3, TRPA1 TRPA1 3/4885TRPV4 4/4885ALDH1A1 761/4885

“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.

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