SCHEMBL3237193

SCHEMBL3237193

Cc1ccc(S(=O)(=O)n2cc(Cn3c(-c4ccccc4C)nc4cc(C)ccc43)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.54
CYP19A1 P11511 1/20 0.53
HTR6 P50406 16/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.45
UBE2N P61088 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3117450 0.91 HTR6 (0.53) ALKCYP19A1HTR6L3MBTL1KDM4E
SCHEMBL3119476 0.91 HTR6 (0.53) ALKCYP19A1HTR6L3MBTL1KDM4E
SCHEMBL3120267 0.89 CYP19A1 (0.56) ALKCYP19A1HTR6L3MBTL1KDM4E
SCHEMBL3122898 0.89 LMNA (0.52) ALKCYP19A1HTR6L3MBTL1KDM4E
SCHEMBL3109112 0.88 CYP19A1 (0.49) ALKCYP19A1HTR6L3MBTL1KDM4E
SCHEMBL3122486 0.85 NLRP3 (0.52) ALKCYP19A1HTR6L3MBTL1
SCHEMBL3110540 0.85 CYP19A1 (0.52) ALKCYP19A1HTR6L3MBTL1KDM4E
SCHEMBL3110994 0.84 CYP19A1 (0.51) ALKCYP19A1HTR6L3MBTL1KDM4E
SCHEMBL3121651 0.84 MAPT (0.56) ALKCYP19A1HTR6KDM4EUBE2N
SCHEMBL3118291 0.84 HTR6 (0.55) ALKCYP19A1HTR6L3MBTL1KDM4E

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 ALK 1726/4885CYP19A1 1180/4885HTR6 2745/4885

“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.