SCHEMBL3548070

SCHEMBL3548070

O=[N+]([O-])c1ccc(Oc2cccnc2OC(F)F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.50
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
S1PR4 O95977 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39

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
SCHEMBL3550951 0.81 ALDH1A1 (0.44) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL3552977 0.79 CARM1 (0.40) MAPTMEN1KMT2ATRPV4
SCHEMBL9526847 0.77 HSPB1 (0.51) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL15820188 0.76 HSPB1 (0.80) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL4729747 0.72 HSPB1 (0.64) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL31011697 0.72 MEN1 (0.50) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL1583899 0.71 HSPB1 (0.63) HSPB1MAPTALDH1A1MAPK1HTT
SCHEMBL22114132 0.71 HSPB1 (0.63) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL30545048 0.71 HSPB1 (0.50) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL2644891 0.71 LMNA (0.62) HSPB1MAPTALDH1A1MEN1KMT2A

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 HSPB1 3120/4885MAPT 4525/4885ALDH1A1 1459/4885

“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.