SCHEMBL3550951

SCHEMBL3550951

Nc1cc(F)c(Oc2cccnc2OC(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 7/20 0.41
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
IDO1 P14902 1/20 0.39
RECQL P46063 1/20 0.39
TDO2 P48775 1/20 0.39
BLM P54132 1/20 0.39
CASP6 P55212 1/20 0.39
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
HSPB1 P04792 3/20 0.38

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 0.81 HSPB1 (0.50) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL9528675 0.78 MAPT (0.40) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL15820839 0.77 HSPB1 (0.59) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL3552977 0.76 CARM1 (0.40) MAPTMEN1KMT2AKDM4ETRPV4
SCHEMBL30453285 0.73 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8568689 0.73 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2644935 0.73 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL29739355 0.68 ATM (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL17542594 0.67 TDP1 (0.40) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL564506 0.67 TDP1 (0.52) ALDH1A1MAPTMEN1KMT2ATDP1

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 ALDH1A1 1459/4885MAPT 4525/4885MEN1 3480/4885

“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.