SCHEMBL3034192

SCHEMBL3034192

CCC([S])c1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
ALOX5 P09917 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
AOC3 Q16853 2/20 0.41
BRD4 O60885 1/20 0.41
DRD2 P14416 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FLT3 P36888 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD3 P35462 1/20 0.37
DAO P14920 2/20 0.37
HPGD P15428 2/20 0.37
SRD5A2 P31213 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13178686 0.81 KDM4E (0.51) KDM4EALDH1A1MAPTALOX5LOXL2
SCHEMBL7814836 0.81 ALOX5 (0.50) KDM4EALDH1A1MAPTALOX5LOXL2
SCHEMBL8298140 0.80 ALOX5 (0.49) KDM4EALDH1A1MAPTALOX5LOXL2
SCHEMBL26012345 0.80 ALOX5 (0.49) KDM4EALDH1A1MAPTALOX5LOXL2
SCHEMBL7267170 0.79 ALOX5 (0.48) KDM4EALDH1A1MAPTALOX5LOXL2
SCHEMBL29875124 0.79 ALOX5 (0.48) KDM4EALDH1A1MAPTALOX5LOXL2
SCHEMBL6328994 0.77 ALOX5 (0.47) KDM4EALDH1A1MAPTALOX5LOXL2
SCHEMBL6330359 0.77 ALOX5 (0.47) KDM4EALDH1A1MAPTALOX5LOXL2
SCHEMBL22931232 0.76 DRD2 (0.47) KDM4EALDH1A1MAPTALOX5LOXL2
SCHEMBL22931310 0.75 DRD2 (0.49) KDM4EALDH1A1MAPTALOX5LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 WO 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 (2 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA KDM4E 4474/4885ALDH1A1 1009/4885MAPT 3336/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 KDM4E 4526/4885ALDH1A1 1141/4885MAPT 3929/4885

“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.