SCHEMBL3030433

SCHEMBL3030433

CCCCC([S])c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
F2 P00734 1/20 0.41
MIF P14174 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
FAAH O00519 2/20 0.40
TP53 P04637 2/20 0.40
CES1 P23141 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL23848115 0.83 MAPT (0.42) CNR2MAPTALDH1A1KMT2AHSD17B10
SCHEMBL6206770 0.83 MAPT (0.48) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL27996129 0.83 MAPT (0.42) CNR2MAPTALDH1A1KMT2AHSD17B10
SCHEMBL14640180 0.79 MAPT (0.47) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL19241750 0.79 MAPT (0.42) CNR2MAPTALDH1A1KMT2AHSD17B10
SCHEMBL22473985 0.78 MAPT (0.44) CNR2MAPTALDH1A1KMT2AHSD17B10
SCHEMBL6462954 0.77 MAPT (0.41) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL6462957 0.77 MAPT (0.41) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL25775949 0.76 NPC1 (0.44) MAPTALDH1A1HSD17B10LMNANPC1
SCHEMBL10095107 0.75 NPC1 (0.50) MAPTALDH1A1KMT2AHSD17B10LMNA

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 CNR2 93/4885MAPT 3336/4885ALDH1A1 1009/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 CNR2 463/4885MAPT 3929/4885ALDH1A1 1141/4885

“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.