SCHEMBL25753450

SCHEMBL25753450

COc1ccc(/C=C/C(=O)c2scnc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 3/20 0.57
MAPT P10636 7/20 0.56
MAOB P27338 3/20 0.56
MAOA P21397 2/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP1B1 Q16678 1/20 0.55
MEN1 O00255 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54

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
SCHEMBL26248943 0.87 MAPT (0.54) MAPTMAOBMAOAALDH1A1KDM4E
SCHEMBL28497749 0.86 JAK2 (0.56) F3MAPTMAOBMAOAALDH1A1
SCHEMBL25753458 0.84 MAPT (0.55) MAPTMAOBMAOAALDH1A1KDM4E
SCHEMBL25753454 0.84 MAOB (0.59) MAPTMAOBMAOAALDH1A1HPGD
SCHEMBL25753449 0.84 MAPT (0.57) MAPTMAOBMAOAALDH1A1KDM4E
SCHEMBL25753656 0.82 KDM4E (0.51) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL25753466 0.82 MAPT (0.55) MAPTALDH1A1KDM4EHPGDCYP1B1
SCHEMBL25753464 0.78 PTGS2 (0.49) MAPTMAOBMAOAALDH1A1KDM4E
SCHEMBL25753461 0.78 PTGS2 (0.49) MAPTALDH1A1KDM4ETDP1CYP1A1
SCHEMBL25753452 0.77 MAPT (0.57) MAPTMAOBALDH1A1KDM4ETDP1

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-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-09-07 US disclosed
US-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-09-07 US disclosed
EP-4205741-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-07-05 EP 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-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR CYP2E1, CYP11B1, CYP27A1 F3 847/4885MAPT 1097/4885MAOB 857/4885

“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.