SCHEMBL20088415

SCHEMBL20088415

Cc1cc(C(F)(F)F)c2[nH]c(-c3cc(C(F)(F)F)[nH]n3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPBWR1 P48145 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL20094429 0.85 TP53 (0.37) HPGDALOX15TP53MAPK1HSD17B10
SCHEMBL20088414 0.82 POLB (0.37) HPGDHSD17B10SMN1; SMN2MEN1ALDH1A1
SCHEMBL20088412 0.79 NPBWR1 (0.33) NPBWR1TRPV1
SCHEMBL20088411 0.76 PDE3B (0.34) MAPK1NPBWR1TRPV1
SCHEMBL20088413 0.71 NPBWR1 (0.45) NPBWR1TRPV1
SCHEMBL20088417 0.71 NPBWR1 (0.39) MAPK1ALDH1A1NPBWR1TRPV1
SCHEMBL17149423 0.70 MAPT (0.37) HPGDALOX15HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL17449485 0.69 KDM4E (0.37) HPGDHSD17B10ALDH1A1MAPTHTT
SCHEMBL15850783 0.68 CACNA1H (0.55) SMN1; SMN2KMT2A
SCHEMBL20094221 0.68 CACNA1H (0.38) KMT2A

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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 HPGD 951/4885ALOX15 2997/4885TP53 4747/4885

“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.