SCHEMBL15364181

SCHEMBL15364181

Clc1ccc(-c2nc(-c3cccs3)ns2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP19A1 P11511 3/20 0.45
NPC1 O15118 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.39
F2 P00734 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3263020 0.88 MAPT (0.45) ADORA3ADORA2AADORA2BADORA1MAPT
SCHEMBL31120318 0.81 KDM4E (0.48) MAPTLMNARXFP1CYP19A1NPC1
SCHEMBL31120321 0.79 CYP19A1 (0.66) ADORA3ADORA2AADORA2BADORA1MAPT
SCHEMBL4259280 0.77 CASP3 (0.41) MAPTLMNARXFP1CYP19A1NPC1
SCHEMBL2658159 0.76 MAPT (0.46) ADORA2AADORA1MAPTLMNARXFP1
SCHEMBL935142 0.73 LTA4H (0.57) MAPTNPC1MAPK1L3MBTL1HPGD
SCHEMBL3263453 0.72 KDM4E (0.37) ADORA3ADORA2AMAPTLMNARXFP1
Hydrogen Sulfide SCHEMBL29031294 0.72 LTA4H (0.55) MAPTNPC1MAPK1L3MBTL1HPGD
SCHEMBL9686298 0.72 LTA4H (0.55) MAPTNPC1MAPK1L3MBTL1HPGD
SCHEMBL15364087 0.71 CASP3 (0.52) ADORA3ADORA2AADORA2BADORA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104059058-A Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC 2014-09-24 CN claimed
US-20130296166-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES DIVERGENCE, INC. 2013-11-07 US claimed

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-20130296166-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES ATL3, NOP2, PTMS ADORA3 2438/4885ADORA2A 4029/4885ADORA2B 3533/4885

“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.