SCHEMBL6313832

SCHEMBL6313832

O=[N+]([O-])c1cc(-c2cccc(F)c2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
VCAM1 P19320 1/20 0.50
MAPT P10636 4/20 0.46
TAAR1 Q96RJ0 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ESR2 Q92731 1/20 0.46
HSPB1 P04792 1/20 0.45
FBP1 P09467 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MITF O75030 1/20 0.40

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
SCHEMBL28045348 0.88 TDP1 (0.52) TDP1ATMMAPTTAAR1MEN1
SCHEMBL11579276 0.87 ALDH1A1 (0.67) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL2650363 0.86 CRHBP (0.58) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL6319435 0.86 ALDH1A1 (0.56) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL6314467 0.84 ALDH1A1 (0.58) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL721310 0.83 TDP1 (0.71) ALDH1A1TDP1ATMMAPTTAAR1
SCHEMBL2654598 0.83 ALDH1A1 (0.50) ALDH1A1HIF1ATDP1VCAM1MAPT
SCHEMBL29655008 0.83 TDP1 (0.71) ALDH1A1TDP1ATMMAPTTAAR1
SCHEMBL28106852 0.83 SMN1; SMN2 (0.49) ALDH1A1TDP1ATMMAPTTAAR1
SCHEMBL4408381 0.83 TDP1 (0.51) ALDH1A1HIF1ATDP1ATMVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR ALDH1A1 1506/4885HIF1A 489/4885TDP1 4057/4885

“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.