SCHEMBL14844488

SCHEMBL14844488

COc1c(-c2ccc(C(F)(F)F)n(C)c2=O)cnn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 3/20 0.37
LRRK2 Q5S007 2/20 0.32
PTGS2 P35354 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPBWR1 P48145 3/20 0.31
MCHR1 Q99705 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL14844554 0.81 RAB9A (0.38) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL14844550 0.77 ALDH1A1 (0.36) ALDH1A1HPGDLRRK2PTGS2CYP1A2
SCHEMBL16716785 0.76 ALDH1A1 (0.37) ALDH1A1HPGDLRRK2CYP11B2NPBWR1
SCHEMBL14844412 0.76 ALDH1A1 (0.35) ALDH1A1HPGDLRRK2PTGS2
SCHEMBL14844564 0.74 ALDH1A1 (0.39) ALDH1A1HPGDNPBWR1MCHR1
SCHEMBL14844339 0.73 ALOX5AP (0.43) ALDH1A1HPGDPTGS2NPBWR1MCHR1
SCHEMBL16716777 0.73 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDNPBWR1
SCHEMBL14844997 0.72 ALDH1A1 (0.33) ALDH1A1HPGDLRRK2
SCHEMBL16716787 0.72 ALDH1A1 (0.36) ALDH1A1HPGDLRRK2CYP11B2NPBWR1
SCHEMBL16716788 0.71 ALDH1A1 (0.35) ALDH1A1HPGDGAALRRK2NPBWR1

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 RAB9A 916/4885SMN1; SMN2 4594/4885NPC1 4623/4885

“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.