SCHEMBL3116191

SCHEMBL3116191

COc1cccc(-c2nc3cc(C)ccc3n2Cc2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.50
CYP19A1 P11511 1/20 0.49
ALK Q9UM73 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3115583 0.95 HTR6 (0.51) HTR6CYP19A1ALKL3MBTL1
SCHEMBL3111135 0.91 HTR6 (0.54) HTR6CYP19A1ALKL3MBTL1
SCHEMBL3120267 0.88 CYP19A1 (0.56) HTR6CYP19A1ALKL3MBTL1
SCHEMBL3117229 0.88 CYP19A1 (0.50) HTR6CYP19A1ALKL3MBTL1
SCHEMBL3122486 0.86 NLRP3 (0.52) HTR6CYP19A1ALKL3MBTL1
SCHEMBL3118306 0.85 KDM4E (0.60) HTR6CYP19A1L3MBTL1
SCHEMBL3122898 0.84 LMNA (0.52) HTR6CYP19A1ALKL3MBTL1
SCHEMBL3110540 0.84 CYP19A1 (0.52) HTR6CYP19A1ALKL3MBTL1
SCHEMBL3115467 0.82 CYP19A1 (0.52) HTR6CYP19A1ALKL3MBTL1
SCHEMBL3237193 0.82 ALK (0.54) HTR6CYP19A1ALKL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501957-B2 Benzimidazole compounds and their use as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2013-08-06 US disclosed
EP-2397471-A1 Benzimidazole compounds and their use China Medical University (TW) 2011-12-21 EP disclosed
US-20100179147-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2010-07-15 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 (1 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-20100179147-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS H1-3, BAK1, HDAC1 HTR6 2745/4885CYP19A1 1180/4885ALK 1726/4885

“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.