SCHEMBL17137712

SCHEMBL17137712

O=[C]c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 13/20 0.36
▸ CACNA1C Q13936 5/20 0.36
▸ CACNA1B Q00975 5/20 0.36
▸ CACNA1G O43497 4/20 0.33
▸ EGLN1 Q9GZT9 3/20 0.33
▸ HCAR1 Q9BXC0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9172108 0.84 PSMB8 (0.36) CACNA1HCACNA1CCACNA1BCACNA1GKDM4E
SCHEMBL12020771 0.76 MAPT (0.42) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL11716667 0.76 CACNA1H (0.40) CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL8872748 0.76 CACNA1H (0.39) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL10284436 0.73 CACNA1H (0.40) CACNA1HCACNA1CCACNA1BCACNA1GKDM4E
SCHEMBL15843980 0.72 CACNA1H (0.56) CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL18659788 0.72 SCN10A (0.38) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL12495908 0.72 CACNA1H (0.42) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL15850879 0.72 CACNA1H (0.43) CACNA1HCACNA1CCACNA1BCACNA1G
Hydrochloric Acid SCHEMBL15844172 0.71 CACNA1H (0.55) CACNA1HCACNA1CCACNA1BCACNA1G

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-20150284335-A1 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 — — 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-20150284335-A1 Benzoimidazoles as prolyl hydroxylase inhibitors EGLN3, EGLN2, P4HA1 CACNA1H 4630/4885CACNA1C 4806/4885CACNA1B 4776/4885

“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.

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