SCHEMBL3114992

SCHEMBL3114992

CCOc1ccccc1-c1nc2ccccc2n1Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
HTR6 P50406 12/20 0.50
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALK Q9UM73 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
UBE2N P61088 1/20 0.43
POLB P06746 1/20 0.42
ALDH3A1 P30838 1/20 0.42
NOD1 Q9Y239 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 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
SCHEMBL3109112 0.94 CYP19A1 (0.49) CYP19A1HTR6KDM4EHTTLMNA
SCHEMBL3123013 0.91 LMNA (0.60) CYP19A1HTR6KDM4EHTTLMNA
SCHEMBL3118291 0.85 HTR6 (0.55) CYP19A1HTR6KDM4EALKL3MBTL1
SCHEMBL3122898 0.85 LMNA (0.52) CYP19A1HTR6KDM4EHTTLMNA
SCHEMBL3122857 0.82 KDM4E (0.48) CYP19A1HTR6KDM4EHTTLMNA
SCHEMBL3237193 0.81 ALK (0.54) CYP19A1HTR6KDM4EALKL3MBTL1
SCHEMBL3118306 0.80 KDM4E (0.60) CYP19A1HTR6KDM4EHTTLMNA
SCHEMBL3122613 0.80 CYP19A1 (0.54) CYP19A1HTR6KDM4EHTTLMNA
SCHEMBL3119476 0.79 HTR6 (0.53) CYP19A1HTR6KDM4EALKL3MBTL1
SCHEMBL3117450 0.79 HTR6 (0.53) CYP19A1HTR6KDM4EALKL3MBTL1

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 CYP19A1 1180/4885HTR6 2745/4885KDM4E 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.