SCHEMBL6314467

SCHEMBL6314467

O=[N+]([O-])c1cc(-c2ccc(F)cc2)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 3/20 0.55
ATM Q13315 1/20 0.55
VCAM1 P19320 1/20 0.55
MAPT P10636 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
TTR P02766 1/20 0.44
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA1 P00915 1/20 0.43
MMP2 P08253 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCG2 Q9UNQ0 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
SCHEMBL11579276 0.92 ALDH1A1 (0.67) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL3497277 0.87 ALDH1A1 (0.56) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL6319435 0.87 ALDH1A1 (0.56) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL2650363 0.87 CRHBP (0.58) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL6313481 0.86 ALDH1A1 (0.60) ALDH1A1HIF1ATDP1ATMVCAM1
Sulfur Dioxide SCHEMBL21643667 0.86 ALDH1A1 (0.60) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL17749477 0.85 TDP1 (0.71) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL13788566 0.84 ALDH1A1 (0.53) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL14956676 0.84 VCAM1 (0.74) ALDH1A1HIF1ATDP1ATMVCAM1
SCHEMBL18302787 0.84 TDP1 (0.55) 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.