SCHEMBL25722569

SCHEMBL25722569

Fc1cc2nc(-c3cc(F)c(C(F)(F)F)c(F)c3)[nH]c2cc1F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ CYP11B2 P19099 1/20 0.49
▸ CBFB Q13951 1/20 0.47
▸ NPBWR1 P48145 7/20 0.43
▸ DGAT1 O75907 5/20 0.41
▸ KCNH2 Q12809 5/20 0.41
▸ SOAT1 P35610 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ SCD O00767 1/20 0.36
▸ RHEB Q15382 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36

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
SCHEMBL24074309 0.80 KDM4E (0.57) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24075252 0.79 KDM4E (0.69) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1171206 0.78 ALDH1A1 (0.67) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24075329 0.78 KDM4E (0.68) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24075326 0.77 KDM4E (0.57) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24075192 0.77 KDM4E (0.57) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24074350 0.76 NPBWR1 (0.59) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24075057 0.75 KDM4E (0.62) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16121162 0.75 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24075325 0.75 KDM4E (0.73) 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-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-06-22 — — US disclosed
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-06-22 — — 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-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF EPHX1, EPHX2, NCEH1 KDM4E 1761/4885ALDH1A1 588/4885CYP1A2 571/4885

“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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