SCHEMBL3124169

SCHEMBL3124169

CCOc1ccccc1-c1nc2cc(C)ccc2n1Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
LMNA P02545 5/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.45
NLRP3 Q96P20 1/20 0.42
HDAC1 Q13547 2/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.40
HDAC8 Q9BY41 1/20 0.40
PLK1 P53350 1/20 0.39

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
SCHEMBL3125805 0.87 KDM4E (0.44) KDM4ELMNAHTTNPSR1MAPT
SCHEMBL3123871 0.85 KDM4E (0.50) KDM4ELMNAHTTNPSR1MAPT
SCHEMBL3118325 0.85 KDM4E (0.45) KDM4ELMNAHTTNPSR1NLRP3
SCHEMBL3109169 0.85 KDM4E (0.45) KDM4ELMNAHTTNPSR1NLRP3
SCHEMBL3119406 0.84 ENPP2 (0.46) KDM4ELMNAHTTNPSR1NLRP3
SCHEMBL3109110 0.83 NLRP3 (0.60) KDM4ELMNAHTTNPSR1MAPT
SCHEMBL3123719 0.79 KDM4E (0.53) KDM4ELMNAHTTNPSR1MAPT
SCHEMBL3114047 0.78 NLRP3 (0.46) KDM4ELMNAHTTNPSR1MAPT
SCHEMBL3120440 0.77 HDAC1 (0.53) HDAC1GAAKMT2AMAPK1MEN1
SCHEMBL3109112 0.71 CYP19A1 (0.49) KDM4ELMNAHTTNPSR1L3MBTL1

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.