SCHEMBL2136869

SCHEMBL2136869

COC(=O)c1nc(Cl)cc(NCc2ccccn2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLAU P00749 2/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
MCL1 Q07820 1/20 0.42
VNN1 O95497 1/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2135021 0.83 CA1 (0.47) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL2136669 0.82 ADORA2A (0.43) HSP90AA1
SCHEMBL2137198 0.80 ABL1 (0.47) KDM4ECYP1A2CYP3A4CYP2D6MAPT
SCHEMBL2137567 0.80 KMT2A (0.47) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2140565 0.79 ABL1 (0.48) KDM4EALDH1A1MAPTHSP90AA1HSP90B1
SCHEMBL2134833 0.79 HSP90AA1 (0.43) KDM4EALDH1A1ALOX15CYP1A2CYP3A4
SCHEMBL2138650 0.79 CYP3A4 (0.37) KDM4EALDH1A1ALOX15HSD17B10CYP1A2
SCHEMBL2137639 0.79 BCHE (0.49) KDM4EALDH1A1MAPTHSP90AA1HSP90B1
SCHEMBL2136286 0.78 SMN1; SMN2 (0.47) KDM4EALDH1A1HSD17B10MAPTPLAU
SCHEMBL2133084 0.78 MEN1 (0.47) ALDH1A1MAPTVNN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445884-B1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2013-02-13 EP disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
WO-2010149956-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-12-29 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-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES DDT, DAO, NPM1 KDM4E 1195/4885ALDH1A1 1297/4885ALOX15 3135/4885

“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.