SCHEMBL2829892

SCHEMBL2829892

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2A O00443 1/20 0.52
▸ KMT2A Q03164 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TP53 P04637 2/20 0.46

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
SCHEMBL2827630 0.88 SMN1; SMN2 (0.59) KMT2AMAPTMGLLMEN1SMN1; SMN2
SCHEMBL2825544 0.86 MAPT (0.64) KMT2AMAPTMGLLNPSR1MEN1
SCHEMBL2826777 0.85 NPSR1 (0.66) KMT2AMAPTMGLLNPSR1MEN1
SCHEMBL2829180 0.85 MAPT (0.60) KMT2AMAPTMGLLNPSR1MEN1
SCHEMBL2827972 0.85 MAPT (0.59) KMT2AMAPTMGLLNPSR1MEN1
SCHEMBL2831060 0.84 TRPA1 (0.58) KMT2AMAPTMGLLNPSR1HPGD
SCHEMBL2825667 0.82 SMN1; SMN2 (0.63) KMT2AMAPTMGLLNPSR1MEN1
SCHEMBL2830357 0.82 TRPA1 (0.58) KMT2AMAPTMGLLNPSR1MEN1
SCHEMBL2827614 0.80 HDAC1 (0.56) KMT2AMAPTMGLLNPSR1MEN1
SCHEMBL2826708 0.80 ABL1 (0.57) KMT2AMAPTMGLLNPSR1MEN1

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 9 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
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 PIK3C2A 2594/4885KMT2A 3123/4885MAPT 2205/4885
US-20100099722-A1 2-(BENZIMIDAZOL-1-YL)-N-(4-PHENYLTHIAZOL-2-YL) ACETAMIDE DERIVATIVES TRPV1, TRPV3, TRPA1 PIK3C2A 2540/4885KMT2A 3057/4885MAPT 2185/4885

“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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