SCHEMBL127097

SCHEMBL127097

COCc1nc2nc(C)ccc2cc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
RXFP1 Q9HBX9 3/20 0.43
KDM4E B2RXH2 6/20 0.39
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL124183 0.82 NPC1 (0.43) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL123051 0.78 NPC1 (0.44) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL27838058 0.78 GAA (0.43) RXFP1KDM4EHPGDALDH1A1NPSR1
SCHEMBL16624267 0.73 NPC1 (0.48) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL126121 0.73 RXFP1 (0.37) NPC1RAB9ARXFP1KDM4EHPGD
SCHEMBL16624279 0.72 NPC1 (0.47) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL123910 0.71 NPC1 (0.50) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL28826850 0.70 NPC1 (0.45) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL973466 0.69 SYK (0.37)
SCHEMBL15211251 0.69 NPC1 (0.46) NPC1RAB9AKMT2AMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102006777-B Herbicidal compounds SYNGENTA LTD 2015-04-01 CN disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT NPC1 3417/4885RAB9A 431/4885KMT2A 1162/4885

“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.