SCHEMBL2136168

SCHEMBL2136168

C=Cc1c(NCc2ccccc2[N+](=O)[O-])cc(Cl)nc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
MAPT P10636 7/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH3A1 P30838 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
TDO2 P48775 2/20 0.39
IDO1 P14902 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL2137266 0.87 HTT (0.51) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL2136769 0.87 CD38 (0.42) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL2135378 0.86 ABL1 (0.44) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL2136582 0.85 HTT (0.49) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL2136290 0.85 SMN1; SMN2 (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2136420 0.85 KCNN3 (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2136868 0.82 ABL1 (0.47) HTTALDH1A1KDM4ECYP3A4
SCHEMBL2136708 0.82 MEN1 (0.43) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL2135041 0.82 F2 (0.45) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL2138730 0.81 ALDH1A1 (0.44) HTTMAPTALDH1A1MEN1KMT2A

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
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
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 HTT 316/4885MAPT 1344/4885ALDH1A1 1297/4885

“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.