SCHEMBL6506544

SCHEMBL6506544

Clc1ccc([CH]c2cccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAF1 P04049 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.40
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL9373561 0.82 RAB9A (0.56) L3MBTL1MEN1ALDH1A1RAF1TP53
SCHEMBL723432 0.80 SMN1; SMN2 (0.48) MEN1ALDH1A1TP53MAPTMAPK1
SCHEMBL723113 0.79 MAPT (0.44) MEN1ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL28581898 0.79 RAB9A (0.43) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL28889596 0.78 RAB9A (0.42) MEN1ALDH1A1TP53MAPTMAPK1
SCHEMBL559558 0.77 SMN1; SMN2 (0.59) ALDH1A1MAPTKMT2ARAB9ANPC1
SCHEMBL8699745 0.75 CYP1A2 (0.56) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL1202896 0.71 HSD17B10 (0.58) ALDH1A1MAPTNPC1LMNAHSD17B10
SCHEMBL22733864 0.69 RAB9A (0.66) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL3933714 0.69 RAB9A (0.66) MEN1MAPTKMT2ARAB9ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 US 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-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 L3MBTL1 3444/4885MEN1 1932/4885ALDH1A1 629/4885

“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.