SCHEMBL2831060

SCHEMBL2831060

O=C(Cn1cnc2ccccc21)Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.58
▸ TRPV4 Q9HBA0 2/20 0.54
▸ MGLL Q99685 1/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ GSTO1 P78417 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 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
SCHEMBL2830357 0.90 TRPA1 (0.58) TRPA1TRPV4MGLLKMT2AMAPT
SCHEMBL2825544 0.89 MAPT (0.64) MGLLKMT2AMAPTNPSR1ALDH1A1
SCHEMBL2826777 0.87 NPSR1 (0.66) TRPA1TRPV4MGLLKMT2AMAPT
SCHEMBL2829180 0.87 MAPT (0.60) MGLLKMT2AMAPTNPSR1GAA
SCHEMBL2827972 0.87 MAPT (0.59) TRPA1MGLLKMT2AMAPTNPSR1
SCHEMBL2825667 0.85 SMN1; SMN2 (0.63) MGLLKMT2AMAPTNPSR1ALDH1A1
SCHEMBL2827630 0.85 SMN1; SMN2 (0.59) MGLLKMT2AMAPTGAAALDH1A1
SCHEMBL2829892 0.84 PIK3C2A (0.52) TRPA1MGLLKMT2AMAPTNPSR1
SCHEMBL2827614 0.83 HDAC1 (0.56) MGLLKMT2AMAPTNPSR1POLB
SCHEMBL2826708 0.83 ABL1 (0.57) TRPA1MGLLKMT2AMAPTNPSR1

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 3/4885MGLL 3317/4885
US-20100099722-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES TRPV1, TRPV3, TRPA1 TRPA1 3/4885TRPV4 4/4885MGLL 3352/4885

“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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