SCHEMBL6314030

SCHEMBL6314030

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HIF1A Q16665 1/20 0.50
VCAM1 P19320 2/20 0.47
MAPT P10636 6/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EPAS1 Q99814 1/20 0.40
ATM Q13315 1/20 0.40
SRD5A2 P31213 1/20 0.39
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL12868652 0.86 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL11579276 0.84 ALDH1A1 (0.67) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL3497277 0.83 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL6314467 0.81 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL2650363 0.80 CRHBP (0.58) ALDH1A1HIF1AVCAM1MAPTLMNA
Sulfur Dioxide SCHEMBL21643667 0.79 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL6313481 0.79 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL30155394 0.78 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL2698568 0.78 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL4407574 0.77 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1MAPTLMNA

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 489/4885VCAM1 3352/4885

“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.