SCHEMBL6311840

SCHEMBL6311840

CN(C)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
ALDH1A1 P00352 5/20 0.50
HIF1A Q16665 1/20 0.50
VCAM1 P19320 1/20 0.47
LMNA P02545 6/20 0.47
HTT P42858 4/20 0.47
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH3A1 P30838 1/20 0.40
ATM Q13315 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
SCHEMBL23926475 0.87 MAPT (0.54) MAPTALDH1A1HIF1ALMNAHTT
SCHEMBL3878871 0.86 MAPT (0.61) MAPTALDH1A1HIF1AVCAM1LMNA
SCHEMBL29559175 0.86 MAPT (0.61) MAPTALDH1A1HIF1AVCAM1LMNA
SCHEMBL11579276 0.84 ALDH1A1 (0.67) MAPTALDH1A1HIF1AVCAM1LMNA
SCHEMBL6314467 0.81 ALDH1A1 (0.58) MAPTALDH1A1HIF1AVCAM1LMNA
SCHEMBL2650363 0.80 CRHBP (0.58) MAPTALDH1A1HIF1AVCAM1LMNA
SCHEMBL3497277 0.80 ALDH1A1 (0.56) MAPTALDH1A1HIF1AVCAM1LMNA
Sulfur Dioxide SCHEMBL21643667 0.79 ALDH1A1 (0.60) MAPTALDH1A1HIF1AVCAM1LMNA
SCHEMBL6313481 0.79 ALDH1A1 (0.60) MAPTALDH1A1HIF1AVCAM1LMNA
SCHEMBL4407574 0.77 ALDH1A1 (0.50) MAPTALDH1A1HIF1AVCAM1LMNA

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 MAPT 4616/4885ALDH1A1 1506/4885HIF1A 489/4885

“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.