SCHEMBL1609174

SCHEMBL1609174

COC(=O)c1nc(C2CC2)nc(N[C@@H](C)C(=O)OCc2ccccc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE10A Q9Y233 1/20 0.42
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CCR1 P32246 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL1609302 0.83 PDE10A (0.43) ALDH1A1HSD17B10PDE10AATMPOLB
SCHEMBL1609894 0.83 PDE10A (0.43) MAPTALDH1A1HPGDHSD17B10PDE10A
SCHEMBL1609834 0.83 PLAU (0.52) MAPTALDH1A1HSD17B10PDE10APOLB
SCHEMBL12738485 0.82 PDE10A (0.43) ALDH1A1PDE10ATDP1
SCHEMBL1609830 0.82 ELANE (0.40) ALDH1A1HSD17B10PDE10A
SCHEMBL1610415 0.82 PDE10A (0.43) MAPTALDH1A1HPGDHSD17B10PDE10A
SCHEMBL1610170 0.81 PDE10A (0.50) MAPTALDH1A1HPGDPDE10AADORA2A
SCHEMBL1608814 0.81 PDE10A (0.43) MAPTPDE10AADORA1
SCHEMBL1610254 0.81 PDE10A (0.43) MAPTPDE10AADORA1
SCHEMBL1611032 0.81 PDE10A (0.43) ALDH1A1HSD17B10PDE10AL3MBTL1

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-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
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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 (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 MAPT 2800/4885ALDH1A1 1562/4885HPGD 1668/4885

“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.