SCHEMBL25753452

SCHEMBL25753452

COc1ccccc1/C=C/C(=O)c1scnc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
CYP3A4 P08684 3/20 0.57
HPGD P15428 2/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 3/20 0.57
LMNA P02545 2/20 0.57
RAB9A P51151 2/20 0.57
BCHE P06276 1/20 0.57
MAOB P27338 3/20 0.56
CYP1A2 P05177 4/20 0.55
CYP2D6 P10635 4/20 0.55
CYP1A1 P04798 3/20 0.55
CYP1B1 Q16678 3/20 0.55
NFE2L2 Q16236 2/20 0.55
TFEB P19484 1/20 0.55

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
SCHEMBL25753460 0.82 MAOB (0.51) MAPTHPGDMAPK1ALDH1A1MEN1
SCHEMBL25753449 0.78 MAPT (0.57) MAPTCYP3A4HPGDMAPK1ALDH1A1
SCHEMBL25753450 0.77 F3 (0.57) MAPTCYP3A4HPGDALDH1A1MEN1
SCHEMBL25753454 0.76 MAOB (0.59) MAPTCYP3A4HPGDALDH1A1NPC1
SCHEMBL19183205 0.74 MAOB (0.76) MAPTCYP3A4ALDH1A1TP53KMT2A
SCHEMBL19183204 0.74 MAOB (0.76) MAPTCYP3A4ALDH1A1TP53KMT2A
SCHEMBL25753466 0.74 MAPT (0.55) MAPTCYP3A4HPGDALDH1A1KMT2A
SCHEMBL4535102 0.73 AR (0.80) MAPTCYP3A4HPGDALDH1A1MEN1
SCHEMBL1723179 0.73 MAPT (1.00) MAPTCYP3A4HPGDMAPK1ALDH1A1
SCHEMBL1723180 0.73 MAPT (1.00) MAPTCYP3A4HPGDMAPK1ALDH1A1

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 MAPT 1097/4885CYP3A4 45/4885HPGD 81/4885

“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.