SCHEMBL3109110

SCHEMBL3109110

COc1cc(Cn2c(-c3ccccc3)nc3cc(C)ccc32)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.60
TP53 P04637 5/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 5/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51
PDE6D O43924 1/20 0.50
ALDH2 P05091 1/20 0.50
ALDH3A1 P30838 1/20 0.50
CNR2 P34972 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3114047 0.90 NLRP3 (0.46) NLRP3TP53MAPTKDM4EHTT
SCHEMBL3123719 0.89 KDM4E (0.53) NLRP3TP53MAPTKDM4EHTT
SCHEMBL3119805 0.85 KDM4E (0.46) NLRP3TP53MAPTKDM4EHTT
SCHEMBL3123871 0.84 KDM4E (0.50) NLRP3MAPTKDM4EHTTLMNA
SCHEMBL3118325 0.84 KDM4E (0.45) NLRP3TP53KDM4EHTTLMNA
SCHEMBL3109169 0.84 KDM4E (0.45) NLRP3KDM4EHTTLMNANPSR1
SCHEMBL8233038 0.84 NLRP3 (0.74) NLRP3TP53MAPTKDM4EHTT
SCHEMBL3119406 0.84 ENPP2 (0.46) NLRP3TP53KDM4EHTTLMNA
SCHEMBL3124169 0.83 KDM4E (0.48) NLRP3MAPTKDM4EHTTLMNA
SCHEMBL8024196 0.81 TP53 (0.62) TP53MAPTKDM4EHTTLMNA

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 NLRP3 3243/4885TP53 91/4885MAPT 4456/4885

“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.