SCHEMBL3122857

SCHEMBL3122857

COc1ccccc1-c1nc2cc(Cl)ccc2n1Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP19A1 P11511 1/20 0.47
HTR6 P50406 14/20 0.47
ALK Q9UM73 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41

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
SCHEMBL3122898 0.93 LMNA (0.52) KDM4ELMNAHTTNPSR1CYP19A1
SCHEMBL3123013 0.91 LMNA (0.60) KDM4ELMNAHTTNPSR1CYP19A1
SCHEMBL3109112 0.85 CYP19A1 (0.49) KDM4ELMNAHTTNPSR1CYP19A1
SCHEMBL3119476 0.85 HTR6 (0.53) KDM4ECYP19A1HTR6ALKL3MBTL1
SCHEMBL3110540 0.83 CYP19A1 (0.52) KDM4ECYP19A1HTR6ALKL3MBTL1
SCHEMBL3237193 0.83 ALK (0.54) KDM4ECYP19A1HTR6ALKL3MBTL1
SCHEMBL3114992 0.82 CYP19A1 (0.51) KDM4ELMNAHTTNPSR1CYP19A1
SCHEMBL3118291 0.82 HTR6 (0.55) KDM4ECYP19A1HTR6ALKL3MBTL1
SCHEMBL3117229 0.81 CYP19A1 (0.50) KDM4ECYP19A1HTR6ALKL3MBTL1
SCHEMBL3117450 0.81 HTR6 (0.53) KDM4ECYP19A1HTR6ALKL3MBTL1

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 KDM4E 1152/4885LMNA 2237/4885HTT 4516/4885

“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.