SCHEMBL2654089

SCHEMBL2654089

O=[N+]([O-])c1cc(-c2ccc(F)cc2F)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 3/20 0.51
HIF1A Q16665 2/20 0.51
VCAM1 P19320 1/20 0.49
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CA1 P00915 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
DHFR P00374 1/20 0.45
CA2 P00918 1/20 0.45
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
HMGB1 P09429 1/20 0.45
HPGD P15428 1/20 0.45
CXCL12 P48061 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
ACMSD Q8TDX5 1/20 0.45

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
SCHEMBL18302787 0.88 TDP1 (0.55) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29655271 0.86 TDP1 (0.62) TDP1ATMALDH1A1HIF1ALMNA
SCHEMBL6314467 0.82 ALDH1A1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL12394315 0.82 TTR (0.59) TDP1ATMALDH1A1HIF1ALMNA
SCHEMBL11579276 0.82 ALDH1A1 (0.67) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL102780 0.82 ATM (0.69) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29462663 0.82 ATM (0.69) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL6320483 0.81 ALDH1A1 (0.53) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL2497892 0.80 TDP1 (0.53) TDP1ATMALDH1A1HIF1AVCAM1
Hydrogen Sulfide SCHEMBL21810723 0.80 ATM (0.67) TDP1ATMALDH1A1HIF1AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585517-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-10-19 EP disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2004062663-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-29 WO 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 TDP1 4057/4885ATM 2609/4885ALDH1A1 1506/4885

“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.