SCHEMBL3552977

SCHEMBL3552977

Nc1ccc(Oc2cccnc2OC(F)F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
TRPA1 O75762 5/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL3548070 0.79 HSPB1 (0.50) TRPV4MAPTMEN1KMT2A
SCHEMBL30084630 0.76 TRPA1 (0.42) CARM1PRMT6HTR1ASLC6A2SLC6A4
SCHEMBL3550951 0.76 ALDH1A1 (0.44) TRPV4MAPTMEN1KMT2AKDM4E
SCHEMBL11049484 0.74 KMT2A (0.40) MAPTMEN1KMT2AKDM4E
SCHEMBL30059265 0.73 MEN1 (0.40) TRPA1MAPTMEN1KMT2AKDM4E
SCHEMBL25968454 0.73 MEN1 (0.40) TRPA1MAPTMEN1KMT2AKDM4E
SCHEMBL15821714 0.72 MEN1 (0.54) CARM1PRMT6HTR1ASLC6A2SLC6A4
SCHEMBL5693194 0.72 ALDH1A1 (0.44) CARM1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17242062 0.72 ROCK2 (0.54) ROCK2
SCHEMBL23147622 0.71 AXL (0.41) TRPA1MAPTMEN1KMT2AROCK2

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-1935890-B1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD KK (JP) 2016-03-16 EP disclosed
US-7799820-B2 2-Heterocycle-substituted indole derivatives for treating diabetes and associated conditions BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 US disclosed
EP-1935890-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 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-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE GCKR, GPR119, GCK CARM1 1263/4885PRMT6 952/4885TRPV4 2723/4885

“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.