SCHEMBL19974777

SCHEMBL19974777

COc1c(C)cnc(CSc2nc3c[c]ccc3[nH]2)c1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.66
KMT2A Q03164 5/20 0.44
WDR5 P61964 3/20 0.44
SHMT2 P34897 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
CYP2C9 P11712 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CYP2D6 P10635 2/20 0.40
HTT P42858 3/20 0.40
DDAH1 O94760 2/20 0.40
ENGASE Q8NFI3 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATP1A1 P05023 1/20 0.40

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
SCHEMBL10578851 0.84 BRS3 (0.74) BRS3KMT2AWDR5SHMT2SMN1; SMN2
Ufiprazole SCHEMBL7950477 0.83 BRS3 (0.82) BRS3KMT2AWDR5SMN1; SMN2CYP2C9
Ufiprazole SCHEMBL662986 0.82 BRS3 (0.84) BRS3KMT2AWDR5SMN1; SMN2CYP2C9
Ufiprazole SCHEMBL29455226 0.82 BRS3 (0.84) BRS3KMT2AWDR5SMN1; SMN2CYP2C9
SCHEMBL7851296 0.81 BRS3 (0.69) BRS3KMT2AWDR5SHMT2SMN1; SMN2
Ufiprazole SCHEMBL7929368 0.81 BRS3 (0.82) BRS3KMT2AWDR5SMN1; SMN2CYP2C9
Ufiprazole SCHEMBL31529606 0.81 BRS3 (0.82) BRS3KMT2AWDR5SMN1; SMN2CYP2C9
SCHEMBL10715411 0.80 BRS3 (0.68) BRS3KMT2AWDR5SHMT2SMN1; SMN2
Ufiprazole SCHEMBL1816535 0.80 BRS3 (1.00) BRS3KMT2AWDR5SMN1; SMN2CYP2C9
Ufiprazole SCHEMBL29693729 0.80 BRS3 (1.00) BRS3KMT2AWDR5SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289425-A2 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS Tseng, Yufeng, Jane (US) 2023-12-13 EP claimed
US-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 YODA THERAPEUTICS INC. (TW) 2023-01-19 US claimed
EP-4108240-A2 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 Yoda Pharmaceuticals Inc. (KY) 2022-12-28 EP claimed
US-20200361894-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2020-11-19 US claimed
EP-3512840-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS Tseng, Yufeng, Jane (US) 2019-07-24 EP claimed
WO-2018053161-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS NATIONAL TAIWAN UNIVERSITY (TW) 2018-03-22 WO claimed
EP-3512840-B1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS TSENG YUFENG JANE (US) 2024-03-06 EP disclosed
EP-4289425-A2 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS Tseng, Yufeng, Jane (US) 2023-12-13 EP disclosed
US-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 YODA THERAPEUTICS INC. (TW) 2023-01-19 US disclosed
EP-4108240-A2 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 Yoda Pharmaceuticals Inc. (KY) 2022-12-28 EP disclosed
US-11370775-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors Tseng, Yufeng Jane (US) 2022-06-28 US disclosed
US-20200361894-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2020-11-19 US disclosed
EP-3512840-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS Tseng, Yufeng, Jane (US) 2019-07-24 EP disclosed
WO-2018053161-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS NATIONAL TAIWAN UNIVERSITY (TW) 2018-03-22 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 (3 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-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 NLRP3, NOD1, NLRP1 BRS3 2058/4885KMT2A 4102/4885WDR5 958/4885
US-11370775-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors DAO, DDO, IL4I1 BRS3 2817/4885KMT2A 1384/4885WDR5 1751/4885
US-20200361894-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS DAO, DDO, DDC BRS3 2789/4885KMT2A 943/4885WDR5 1778/4885

“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.