SCHEMBL3547648

SCHEMBL3547648

O=[N+]([O-])c1ccc(F)cc1Oc1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.64
TDP1 Q9NUW8 3/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 5/20 0.50
PIN1 Q13526 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8812343 0.90 TDP1 (0.62) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL31522185 0.89 HSPB1 (0.70) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL1340459 0.86 HSPB1 (0.71) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL1340528 0.84 L3MBTL1 (0.71) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL9132620 0.84 TDP1 (0.49) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL10688519 0.84 HTR6 (0.54) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL1341961 0.84 HSPB1 (0.75) HSPB1TDP1ATML3MBTL1HPGD
SCHEMBL9656884 0.82 HSPB1 (0.54) HSPB1TDP1MEN1KMT2AMAPT
SCHEMBL1342209 0.81 L3MBTL1 (0.47) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL8815813 0.81 TDP1 (0.51) HSPB1TDP1ATMMEN1KMT2A

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 3120/4885TDP1 4068/4885ATM 3035/4885

“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.