SCHEMBL20094228

SCHEMBL20094228

Fc1cc2nc(C3=CCCN3)[nH]c2cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ CBFB Q13951 2/20 0.49
▸ CYP11B2 P19099 1/20 0.42
▸ OPRL1 P41146 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.34
▸ HRH4 Q9H3N8 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ METAP2 P50579 2/20 0.33
▸ METAP1 P53582 2/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ RHEB Q15382 1/20 0.33

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
SCHEMBL20094244 0.79 CBFB (0.51) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1171206 0.77 ALDH1A1 (0.67) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21001246 0.69 ALDH1A1 (0.53) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24075325 0.67 KDM4E (0.73) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24075329 0.67 KDM4E (0.68) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24074260 0.67 ALDH1A1 (0.94) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7129415 0.66 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24075055 0.66 KDM4E (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL124228 0.66 CBFB (1.00) KDM4EHPGDCBFBMETAP2METAP1
SCHEMBL24074303 0.65 RHEB (0.69) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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 KDM4E 2814/4885ALDH1A1 588/4885CYP1A2 542/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 KDM4E 2814/4885ALDH1A1 588/4885CYP1A2 542/4885

“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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