SCHEMBL25753457

SCHEMBL25753457

Cc1ncsc1C(=O)/C=C/c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.53
MAOA P21397 5/20 0.53
CYP1A2 P05177 4/20 0.52
CYP2C9 P11712 2/20 0.52
CYP1A1 P04798 3/20 0.49
CYP1B1 Q16678 3/20 0.49
CYP2D6 P10635 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.46
NPY1R P25929 1/20 0.46
NTSR1 P30989 1/20 0.46

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 0.87 MAOA (0.52) MAOBMAOACYP1A2CYP1A1CYP1B1
SCHEMBL25753458 0.84 MAPT (0.55) MAOBMAOACYP1A2SMN1; SMN2NPC1
SCHEMBL25753449 0.84 MAPT (0.57) MAOBMAOACYP1A2CYP2C9CYP1B1
SCHEMBL25753454 0.84 MAOB (0.59) MAOBMAOACYP1A2CYP2C9CYP1A1
SCHEMBL25753461 0.83 PTGS2 (0.49) CYP1A2CYP1A1CYP1B1CYP2D6NPC1
SCHEMBL25753464 0.81 PTGS2 (0.49) MAOBMAOACYP1A2CYP1A1CYP1B1
SCHEMBL26248943 0.78 MAPT (0.54) MAOBMAOACYP1A1CYP1B1SMN1; SMN2
SCHEMBL28497749 0.77 JAK2 (0.56) MAOBMAOACYP2C9CYP2D6RAB9A
SCHEMBL25753466 0.76 MAPT (0.55) CYP1B1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL25753460 0.76 MAOB (0.51) MAOBCYP1A2CYP1A1CYP1B1CYP2D6

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 857/4885MAOA 1063/4885CYP1A2 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.