SCHEMBL584978

SCHEMBL584978

S=c1ccc2ccncc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
DAO P14920 2/20 0.44
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IKBKB O14920 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
AURKA O14965 1/20 0.38
CHUK O15111 1/20 0.38
PIM1 P11309 1/20 0.38
TOP1 P11387 1/20 0.38
GABRA1 P14867 1/20 0.38
IDO1 P14902 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL7097549 0.83 PDE3B (0.60) ALDH1A1DAOPDE3BPDE3AHRH4
SCHEMBL3385284 0.75 PDE3B (0.71) ALDH1A1DAOPDE3BPDE3AHRH4
SCHEMBL30154352 0.75 PDE3B (0.71) ALDH1A1DAOPDE3BPDE3AHRH4
SCHEMBL12470 0.71
SCHEMBL706764 0.71 MAPT (0.50) ALDH1A1DAOKDM4EHPGDSMN1; SMN2
SCHEMBL29465576 0.71
Hydrochloric Acid SCHEMBL5532283 0.70 MAPT (0.49) DAOHRH4PIM1MAPT
SCHEMBL7491548 0.70 MAPT (0.49) DAOPIM1MAPT
Hydrochloric Acid SCHEMBL2978417 0.70 MAPT (0.49) DAOHRH4PIM1MAPT
Bromide SCHEMBL1242434 0.70 MAPT (0.49) DAOHRH4PIM1MAPT

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
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

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 ALDH1A1 746/4885DAO 1994/4885PDE3B 1249/4885

“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.