SCHEMBL24075397

SCHEMBL24075397

Fc1cc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PARP1 P09874 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
CBFB Q13951 1/20 0.52
CHEK2 O96017 3/20 0.51
DGAT1 O75907 2/20 0.51
SOAT1 P35610 2/20 0.51
KCNH2 Q12809 2/20 0.51
FGFR1 P11362 2/20 0.49
FLT1 P17948 1/20 0.49
TOP1 P11387 2/20 0.48

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
SCHEMBL24075401 0.88 NPBWR1 (0.58) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL24075398 0.86 DGAT1 (0.66) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL8772505 0.83 SIRT2 (0.59) ALDH1A1HPGDHSD17B10SIRT2SIRT1
SCHEMBL24075393 0.83 CHEK2 (0.53) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL1663224 0.81 MEN1 (0.67) ALDH1A1HPGDHSD17B10KDM4ECYP3A4
SCHEMBL1663221 0.81 PARP1 (0.52) ALDH1A1HPGDHSD17B10KDM4ECYP3A4
SCHEMBL24075347 0.80 DGAT1 (0.60) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL16205099 0.80 ACHE (0.68) ALDH1A1HPGDHSD17B10KDM4ESIRT2
SCHEMBL19137959 0.80 NPBWR1 (0.55) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL28086854 0.79 TCF4 (0.54) ALDH1A1HPGDHSD17B10KDM4ECYP1A2

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 3 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
WO-2021242790-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2021-12-02 WO 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 ALDH1A1 588/4885HPGD 60/4885HSD17B10 275/4885

“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.