SCHEMBL588974

SCHEMBL588974

S=c1ccc2cccnc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.55
NUDT1 P36639 1/20 0.55
ALDH1A1 P00352 2/20 0.47
DAO P14920 1/20 0.44
HTT P42858 3/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL29808942 1.00 AXL (0.55) AXLNUDT1ALDH1A1DAOHTT
SCHEMBL29498319 0.75 DAO (0.53) AXLNUDT1DAOHTTKDM4E
SCHEMBL126973 0.75 DAO (0.53) AXLNUDT1DAOHTTKDM4E
Charcoal, Activated SCHEMBL7531966 0.73 DAO (0.51) AXLNUDT1DAOHTTKDM4E
Hydrochloric Acid SCHEMBL7181738 0.73 DAO (0.51) AXLNUDT1DAOHTTKDM4E
Fluoride SCHEMBL28140380 0.73 DAO (0.51) AXLNUDT1DAOHTTKDM4E
Hydrochloric Acid SCHEMBL29691659 0.73 DAO (0.51) AXLNUDT1DAOHTTKDM4E
Bromide SCHEMBL2820333 0.73 DAO (0.51) AXLNUDT1DAOHTTKDM4E
SCHEMBL30213497 0.73 DAO (0.51) AXLNUDT1DAOHTTKDM4E
SCHEMBL5794083 0.73 DAO (0.47) AXLNUDT1DAOHTTHSD17B10

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
US-8450243-B2 Herbicidal quinoline and 1,8-naphthyridine compounds SYNGENTA LIMITED (GB) 2013-05-28 US disclosed
EP-2417132-B1 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS SYNGENTA LTD (GB) 2013-04-17 EP disclosed
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-04-19 US disclosed
EP-2417132-A2 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS Syngenta Limited (GB) 2012-02-15 EP disclosed
WO-2010116122-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-14 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-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS NQO2, QDPR, CYP4X1 AXL 4090/4885NUDT1 116/4885ALDH1A1 746/4885

“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.