SCHEMBL640905

SCHEMBL640905

Cc1cccc(C)c1Cn1c(-c2ccccc2OCC(N)=O)nc2cccc(Br)c21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.39
ADORA1 P30542 1/20 0.38
KCNN4 O15554 1/20 0.37
CASP1 P29466 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
NOTUM Q6P988 2/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL640699 0.88 PLA2G2A (0.41) PLA2G2AADORA1KCNN4CASP1KDM4E
SCHEMBL639847 0.86 KDM4E (0.50) PLA2G2AADORA1KDM4EHTTLMNA
SCHEMBL639125 0.85 KCNN4 (0.41) PLA2G2AADORA1KCNN4CASP1KDM4E
SCHEMBL639087 0.81 NPSR1 (0.47) PLA2G2AADORA1KCNN4CASP1KDM4E
SCHEMBL638729 0.80 PLA2G2A (0.43) PLA2G2AADORA1KCNN4KDM4EHTT
SCHEMBL638972 0.80 BRD4 (0.41) PLA2G2AADORA1KCNN4KDM4EHTT
SCHEMBL2906933 0.80 NPSR1 (0.53) PLA2G2AKDM4EHTTLMNANPSR1
SCHEMBL2907639 0.77 PLA2G2A (0.44) PLA2G2AKDM4EHTTLMNANPSR1
SCHEMBL2901560 0.77 NPSR1 (0.42) PLA2G2AKDM4EHTTLMNANPSR1
SCHEMBL2905631 0.76 LMNA (0.51) PLA2G2AKDM4EHTTLMNANPSR1

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-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US claimed
EP-2121627-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 US claimed

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-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 PLA2G2A 4691/4885ADORA1 534/4885KCNN4 1284/4885

“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.