SCHEMBL3328008

SCHEMBL3328008

COC(=O)c1nc(-c2ncc(C)s2)cc(N)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
PKM P14618 3/20 0.39
RCE1 Q9Y256 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NQO2 P16083 3/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
ATR Q13535 1/20 0.35
SRC P12931 2/20 0.34
ZAP70 P43403 2/20 0.34
SYK P43405 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CDK2 P24941 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL2468288 0.87 KDM4E (0.38) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL3329971 0.86 TDP1 (0.36) KDM4EPKMSMN1; SMN2ALDH1A1NPC1
SCHEMBL3324972 0.81 KDM4E (0.39) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL2470760 0.79 HPGD (0.42) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL2466172 0.79 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL3324385 0.78 KDM4E (0.45) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL2466251 0.76 KDM4E (0.44) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL3330319 0.76 KDM4E (0.41) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL3839349 0.76 KDM4E (0.44) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL2469978 0.75 KDM4E (0.43) KDM4EPKMRCE1SMN1; SMN2ALDH1A1

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
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 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 (3 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KDM4E 4579/4885PKM 3491/4885RCE1 3721/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT KDM4E 969/4885PKM 2868/4885RCE1 2703/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KDM4E 4579/4885PKM 3491/4885RCE1 3721/4885

“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.