SCHEMBL2830760

SCHEMBL2830760

O=C(Cn1cnc2ccccc21)Nc1nc(-c2cccc(Cl)c2)cs1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.56
▸ TRPA1 O75762 1/20 0.54
▸ GSTO1 P78417 1/20 0.53
▸ MAPT P10636 5/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ RORC P51449 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL2829180 0.89 MAPT (0.60) ABL1MAPTKMT2ASMN1; SMN2MGLL
SCHEMBL2825544 0.89 MAPT (0.64) MAPTKMT2ASMN1; SMN2MGLLMEN1
SCHEMBL2826708 0.89 ABL1 (0.57) ABL1TRPA1MAPTKMT2ASMN1; SMN2
SCHEMBL2827614 0.89 HDAC1 (0.56) MAPTKMT2ASMN1; SMN2MGLLMEN1
SCHEMBL2827621 0.88 ABL1 (0.57) ABL1TRPA1MAPTKMT2ASMN1; SMN2
SCHEMBL2825667 0.86 SMN1; SMN2 (0.63) MAPTKMT2ASMN1; SMN2MGLLMEN1
SCHEMBL2827337 0.86 ABL1 (0.58) ABL1TRPA1MAPTKMT2ASMN1; SMN2
SCHEMBL2827117 0.86 SMN1; SMN2 (0.53) MAPTKMT2ARORCSMN1; SMN2MGLL
SCHEMBL2829949 0.84 MAPT (0.55) TRPA1MAPTKMT2ASMN1; SMN2MGLL
SCHEMBL2827972 0.83 MAPT (0.59) TRPA1MAPTKMT2ASMN1; SMN2MGLL

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 ABL1 2275/4885TRPA1 4/4885GSTO1 4114/4885
US-20100099722-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES TRPV1, TRPV3, TRPA1 ABL1 2118/4885TRPA1 3/4885GSTO1 4199/4885

“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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