SCHEMBL25753454

SCHEMBL25753454

COc1cccc(/C=C/C(=O)c2scnc2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.59
BCHE P06276 1/20 0.59
CYP1A2 P05177 4/20 0.58
CYP2D6 P10635 4/20 0.58
CYP1A1 P04798 3/20 0.58
CYP1B1 Q16678 3/20 0.58
ABCG2 Q9UNQ0 5/20 0.55
MAOA P21397 2/20 0.55
CYP3A4 P08684 2/20 0.55
NR1H4 Q96RI1 3/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2C9 P11712 1/20 0.53

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
SCHEMBL26248945 0.86 MAOA (0.52) MAOBCYP1A2CYP2D6CYP1A1CYP1B1
SCHEMBL25753450 0.84 F3 (0.57) MAOBBCHECYP1A2CYP2D6CYP1A1
SCHEMBL25753457 0.84 MAOB (0.53) MAOBCYP1A2CYP2D6CYP1A1CYP1B1
SCHEMBL25753449 0.83 MAPT (0.57) MAOBBCHECYP1A2CYP2D6CYP1B1
SCHEMBL26248943 0.77 MAPT (0.54) MAOBCYP1A1CYP1B1MAOACYP3A4
SCHEMBL25753461 0.77 PTGS2 (0.49) CYP1A2CYP2D6CYP1A1CYP1B1ABCG2
SCHEMBL25753464 0.77 PTGS2 (0.49) MAOBCYP1A2CYP1A1CYP1B1MAOA
SCHEMBL25753452 0.76 MAPT (0.57) MAOBBCHECYP1A2CYP2D6CYP1A1
SCHEMBL25194265 0.76 MAOB (0.75) MAOBBCHECYP1A2CYP2D6CYP1A1
SCHEMBL28497749 0.76 JAK2 (0.56) MAOBCYP2D6ABCG2MAOACYP3A4

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 MAOB 857/4885BCHE 238/4885CYP1A2 49/4885

“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.