SCHEMBL638972

SCHEMBL638972

Cc1cccc(C)c1Cn1c(-c2ccccc2OCC(N)=O)nc2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
PDE10A Q9Y233 3/20 0.41
PDE2A O00408 1/20 0.41
PLA2G2A P14555 4/20 0.41
KCNN4 O15554 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP11B2 P19099 2/20 0.38
ADORA1 P30542 1/20 0.38
CEPT1 Q9Y6K0 1/20 0.37
CASR P41180 1/20 0.36
CYP11B1 P15538 1/20 0.36
NOTUM Q6P988 1/20 0.36
RPS6KA5 O75582 1/20 0.35

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
SCHEMBL639083 0.93 BRD4 (0.41) BRD4PDE10APDE2APLA2G2AKCNN4
SCHEMBL638729 0.90 PLA2G2A (0.43) PLA2G2AKCNN4KDM4ELMNAHTT
SCHEMBL2907639 0.90 PLA2G2A (0.44) PLA2G2AKDM4ELMNAHTTNPSR1
SCHEMBL639847 0.89 KDM4E (0.50) PLA2G2AKDM4ELMNAHTTNPSR1
SCHEMBL639125 0.84 KCNN4 (0.41) PDE10APLA2G2AKCNN4KDM4EHTT
SCHEMBL639218 0.84 BRD4 (0.36) BRD4PDE10APLA2G2ACYP11B2
SCHEMBL2906933 0.83 NPSR1 (0.53) PLA2G2AKDM4ELMNAHTTNPSR1
SCHEMBL2909757 0.82 KCNN4 (0.47) PLA2G2AKCNN4KDM4ELMNAHTT
SCHEMBL638894 0.82 NPSR1 (0.48) PLA2G2AKCNN4KDM4ELMNAHTT
SCHEMBL2901560 0.82 NPSR1 (0.42) PLA2G2AKDM4ELMNAHTTNPSR1

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 9 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
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
EP-2121627-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
WO-2008101586-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-08-28 WO 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-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 BRD4 49/4885PDE10A 1150/4885PDE2A 1708/4885

“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.