SCHEMBL2646025

SCHEMBL2646025

[O]c1cccnc1OC(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.57
LPAR1 Q92633 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
GRM4 Q14833 2/20 0.35
DRD1 P21728 4/20 0.34
TYK2 P29597 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL30063939 0.78 TRPV4 (0.54) TRPV4NR3C1PGRMAPTL3MBTL1
SCHEMBL21222838 0.78 TRPV4 (0.54) TRPV4NR3C1PGRGRM4DRD1
SCHEMBL22679340 0.77 TRPV4 (0.50) TRPV4LPAR1NR3C1PGRDRD1
SCHEMBL15951019 0.76 TRPV4 (0.53) TRPV4LPAR1NR3C1PGRDRD1
SCHEMBL1690226 0.76 TRPV4 (0.53) TRPV4LPAR1NR3C1PGRGRM4
SCHEMBL21225855 0.76 TRPV4 (0.53) TRPV4NR3C1PGRGRM4TYK2
Hydrochloric Acid SCHEMBL21225930 0.76 TRPV4 (0.53) TRPV4LPAR1NR3C1PGRGRM4
SCHEMBL31456651 0.76 TRPV4 (0.53) TRPV4NR3C1PGRGRM4DRD1
SCHEMBL20689171 0.76 TRPV4 (0.53) TRPV4NR3C1PGRGRM4DRD1
SCHEMBL363458 0.76 TRPV4 (0.57) TRPV4GRM4MAPTGAANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 TRPV4 4394/4885LPAR1 4613/4885NR3C1 1048/4885

“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.