SCHEMBL552232

SCHEMBL552232

NC(=O)c1cc(N2CCOCC2)ccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.63
CYP3A4 P08684 1/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
STAT6 P42226 1/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
AGXT P21549 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
P2RY12 Q9H244 1/20 0.47
PRKDC P78527 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL1317670 0.91 LRRK2 (0.66) LRRK2CYP3A4SLCO1B1HSD17B10MEN1
SCHEMBL552011 0.87 LRRK2 (0.62) LRRK2CYP3A4SLCO1B1HSD17B10MEN1
SCHEMBL1318286 0.86 LRRK2 (0.64) LRRK2CYP3A4SLCO1B1HSD17B10MEN1
SCHEMBL550991 0.84 LRRK2 (0.58) LRRK2CYP3A4SLCO1B1HSD17B10MEN1
SCHEMBL19381144 0.80 CCR5 (0.62) LRRK2CYP3A4SLCO1B1HSD17B10MEN1
SCHEMBL14259466 0.79 AGXT (0.52) LRRK2CYP3A4SLCO1B1HSD17B10MEN1
SCHEMBL4766240 0.79 HIF1A (0.59) MEN1KMT2AJAK2PRKDC
SCHEMBL340260 0.78 LRRK2 (0.65) LRRK2CYP3A4SLCO1B1MEN1KMT2A
SCHEMBL1318540 0.78 LRRK2 (0.64) LRRK2CYP3A4SLCO1B1MEN1KMT2A
SCHEMBL4295800 0.78 MAPT (0.61) LRRK2CYP3A4SLCO1B1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
EP-2310015-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF Cropsolution, Inc. (US) 2011-04-20 EP disclosed
WO-2010008521-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2010-01-21 WO disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 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-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB LRRK2 2106/4885CYP3A4 1282/4885SLCO1B1 4009/4885

“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.