SCHEMBL20094244

SCHEMBL20094244

Fc1cc2[nH]c(C3=CCCN3)nc2c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 2/20 0.51
▸ HRH4 Q9H3N8 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL20094228 0.79 KDM4E (0.53) CBFBHRH4EGLN1KDM4EALDH1A1
SCHEMBL125789 0.65 CBFB (0.55) CBFBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22452442 0.64 HDAC6 (0.51) CBFB
SCHEMBL3469733 0.62 CBFB (0.44) CBFBHRH4EGLN1ALDH1A1
SCHEMBL27258711 0.60 CBFB (0.46) CBFBKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL24141161 0.60 CBFB (0.45) CBFB
SCHEMBL1192621 0.59 EGLN1 (0.54) CBFBHRH4EGLN1KDM4EALDH1A1
SCHEMBL15037628 0.56 PARP1 (0.39) KDM4EALDH1A1HPGD
SCHEMBL1171206 0.52 ALDH1A1 (0.67) CBFBHRH4EGLN1KDM4EALDH1A1
SCHEMBL25223628 0.52 OPRL1 (0.41) CBFBHRH4KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351514-B2 Benzimidazole inhibitors of the sodium channel Mark G. DeGiacomo, Interim Trustee (US) 2019-07-16 — — US disclosed
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 (2 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-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 CBFB 3939/4885HRH4 597/4885EGLN1 1567/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CBFB 3939/4885HRH4 597/4885EGLN1 1567/4885

“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.

Send feedback