SCHEMBL638729

SCHEMBL638729

Cc1cccc(C)c1Cn1c(-c2ccccc2OCC(N)=O)nc2cc(F)c(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 11/20 0.43
KCNN4 O15554 1/20 0.42
KMT2A Q03164 2/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G5 P39877 1/20 0.34
NOTUM Q6P988 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
SCHEMBL638972 0.90 BRD4 (0.41) PLA2G2AKCNN4KMT2AADORA1MEN1
SCHEMBL639847 0.87 KDM4E (0.50) PLA2G2AKMT2AADORA1MEN1KDM4E
SCHEMBL639125 0.84 KCNN4 (0.41) PLA2G2AKCNN4ADORA1KDM4EHTT
SCHEMBL2907639 0.84 PLA2G2A (0.44) PLA2G2AKMT2AMEN1KDM4EHTT
SCHEMBL639083 0.84 BRD4 (0.41) PLA2G2AKCNN4KMT2AADORA1MEN1
SCHEMBL639315 0.83 FFAR1 (0.37) PLA2G2AADORA1
SCHEMBL2909757 0.82 KCNN4 (0.47) PLA2G2AKCNN4KMT2AMEN1KDM4E
SCHEMBL2906933 0.81 NPSR1 (0.53) PLA2G2AKMT2AKDM4EHTTLMNA
SCHEMBL638894 0.80 NPSR1 (0.48) PLA2G2AKCNN4KMT2AMEN1KDM4E
SCHEMBL640699 0.80 PLA2G2A (0.41) PLA2G2AKCNN4ADORA1KDM4EHTT

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 5 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
EP-2121627-A1 BENZIMIDAZOLE DERIVATIVES Merck Patent GmbH (DE) 2009-11-25 EP claimed
WO-2008101586-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-08-28 WO 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 4691/4885KCNN4 1284/4885KMT2A 2515/4885

“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.