SCHEMBL14844412

SCHEMBL14844412

COc1c(-c2ccc(C(F)(F)F)nc2O)cnn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
PTGS2 P35354 6/20 0.34
PDE4B Q07343 5/20 0.33
PTGS1 P23219 1/20 0.33
LRRK2 Q5S007 3/20 0.32
PDE3A Q14432 2/20 0.32
TYK2 P29597 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL14844550 0.86 ALDH1A1 (0.36) ALDH1A1HPGDPTGS2PDE4BPTGS1
SCHEMBL29857897 0.78 ALDH1A1 (0.31) ALDH1A1HPGDPDE4BPDE3A
SCHEMBL27028824 0.78 ALDH1A1 (0.31) ALDH1A1HPGDPDE4BPDE3A
SCHEMBL14844488 0.76 RAB9A (0.39) ALDH1A1HPGDPTGS2LRRK2
SCHEMBL14844339 0.73 ALOX5AP (0.43) ALDH1A1HPGDPTGS2
SCHEMBL16716787 0.72 ALDH1A1 (0.36) ALDH1A1HPGDLRRK2PDE10A
SCHEMBL14844564 0.71 ALDH1A1 (0.39) ALDH1A1HPGD
SCHEMBL16716785 0.71 ALDH1A1 (0.37) ALDH1A1HPGDPTGS1LRRK2
SCHEMBL14844584 0.71 ALDH1A1 (0.38) ALDH1A1HPGDLRRK2PDE10A
SCHEMBL16716777 0.70 ALDH1A1 (0.41) ALDH1A1HPGD

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-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
EP-2763968-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LTD (GB) 2016-02-24 EP disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
EP-2763968-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES Syngenta Limited (GB) 2014-08-13 EP disclosed
WO-2013050421-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2013-04-11 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 ALDH1A1 861/4885HPGD 3113/4885PTGS2 4346/4885

“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.