SCHEMBL3111135

SCHEMBL3111135

COc1ccc(-c2nc3cc(C)ccc3n2Cc2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.54
HTT P42858 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CNR2 P34972 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALK Q9UM73 1/20 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
SCHEMBL3118306 0.94 KDM4E (0.60) HTR6HTTKDM4ELMNACYP19A1
SCHEMBL3120267 0.94 CYP19A1 (0.56) HTR6KDM4ECYP19A1L3MBTL1ALK
SCHEMBL3116191 0.91 HTR6 (0.50) HTR6CYP19A1L3MBTL1ALK
SCHEMBL3110540 0.89 CYP19A1 (0.52) HTR6KDM4ECYP19A1ALDH1A1L3MBTL1
SCHEMBL3122486 0.88 NLRP3 (0.52) HTR6CYP19A1L3MBTL1TP53MAPT
SCHEMBL3122898 0.86 LMNA (0.52) HTR6HTTKDM4ELMNACYP19A1
SCHEMBL3115583 0.86 HTR6 (0.51) HTR6HTTKDM4ELMNACYP19A1
SCHEMBL3117229 0.84 CYP19A1 (0.50) HTR6KDM4ECYP19A1L3MBTL1TP53
SCHEMBL3237193 0.84 ALK (0.54) HTR6KDM4ECYP19A1L3MBTL1ALK
SCHEMBL3114603 0.83 CYP19A1 (0.55) HTR6KDM4ECYP19A1L3MBTL1TP53

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 2 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
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 2745/4885HTT 4516/4885KDM4E 1152/4885

“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.