SCHEMBL1609302

SCHEMBL1609302

COC(=O)c1nc(C2CC2)nc(NC(Cc2ccccc2)C(=O)OC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
GAA P10253 1/20 0.42
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ATM Q13315 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.39
PYGL P06737 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
SCHEMBL12738485 0.93 PDE10A (0.43) PDE10AALDH1A1
SCHEMBL1610879 0.92 NOS2 (0.38) PDE10AGAANOS2ELANEPYGL
SCHEMBL1610877 0.92 NOS2 (0.38) PDE10AGAANOS2ELANEPYGL
SCHEMBL12712958 0.92 CYP3A4 (0.43) PDE10ACYP2C9CYP2C19ATMCYP3A4
SCHEMBL12712978 0.91 P2RX3 (0.39) PDE10AATML3MBTL1
SCHEMBL1609306 0.91 NPSR1 (0.42) TSHRALDH1A1ELANE
SCHEMBL1609304 0.91 NPSR1 (0.42) TSHRALDH1A1ELANE
SCHEMBL1609177 0.90 NOS2 (0.42) NOS2NOS3NOS1TSHRELANE
SCHEMBL12712973 0.90 PDE10A (0.37) PDE10AGAANOS2NOS3NOS1
SCHEMBL1609813 0.86 USP2 (0.39) NOS2NOS3NOS1CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 PDE10A 1704/4885GAA 1293/4885NOS2 203/4885

“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.