SCHEMBL10270852

SCHEMBL10270852

Cc1cc(Cl)nc2c1CCCC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
ALDH1A1 P00352 7/20 0.37
HPGD P15428 6/20 0.37
BRD4 O60885 4/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 4/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.32
FPR1 P21462 1/20 0.32
OPRM1 P35372 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
UHRF1 Q96T88 1/20 0.32

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
SCHEMBL24858515 0.91 KDM4E (0.31) KDM4EALDH1A1HTTNOS3NOS1
SCHEMBL10286506 0.84 ALDH1A1 (0.35) KDM4EALDH1A1HPGDBRD4HTT
SCHEMBL527312 0.81 UHRF1 (0.44) KDM4EALDH1A1HPGDBRD4HTT
SCHEMBL883072 0.79 NOS3 (0.33) KDM4ENOS3NOS1NOS2UHRF1
SCHEMBL10286588 0.79 KDM4E (0.36) KDM4EALDH1A1HPGDBRD4HTT
SCHEMBL10286848 0.78 UHRF1 (0.44) KDM4EALDH1A1HPGDBRD4HTT
SCHEMBL10270754 0.77 HTT (0.37) KDM4EALDH1A1HPGDBRD4HTT
SCHEMBL10286636 0.76 ALDH1A1 (0.39) KDM4EALDH1A1HPGDBRD4HTT
SCHEMBL10286529 0.76 NLRP3 (0.36) KDM4EALDH1A1HPGDBRD4HSD17B10
SCHEMBL10286445 0.75 BRD4 (0.37) KDM4EALDH1A1HPGDBRD4HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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 (3 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 KDM4E 3618/4885ALDH1A1 1154/4885HPGD 1427/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO KDM4E 1075/4885ALDH1A1 1110/4885HPGD 1600/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT KDM4E 428/4885ALDH1A1 1961/4885HPGD 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.