SCHEMBL25753656

SCHEMBL25753656

Cc1ncsc1C(=O)/C=C/c1ccc(C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
LMNA P02545 5/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
FLT3 P36888 1/20 0.42
JAK2 O60674 1/20 0.41

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
SCHEMBL25753458 0.86 MAPT (0.55) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL26248943 0.86 MAPT (0.54) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL28497749 0.85 JAK2 (0.56) KDM4EMAPK1RAB9ALMNANFKB1
SCHEMBL25753449 0.83 MAPT (0.57) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL25753450 0.82 F3 (0.57) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL25753466 0.81 MAPT (0.55) KDM4ESMN1; SMN2RAB9ALMNANFKB1
SCHEMBL25753461 0.80 PTGS2 (0.49) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL25753464 0.77 PTGS2 (0.49) KDM4ELMNAPKMALDH1A1MAPT
SCHEMBL25753457 0.76 MAOB (0.53) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL26248945 0.76 MAOA (0.52) KDM4ESMN1; SMN2NPC1RAB9ALMNA

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 KDM4E 3537/4885MAPK1 593/4885SMN1; SMN2 2156/4885

“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.