SCHEMBL10271344

SCHEMBL10271344

CCOC(=O)c1cc2c(nc1N)C(=O)CCCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.70
ALDH1A1 P00352 10/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
HPGD P15428 5/20 0.49
GAA P10253 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 4/20 0.45
PPARG P37231 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
HSD17B10 Q99714 3/20 0.45
TP53 P04637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
GLA P06280 1/20 0.45
ACHE P22303 4/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 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
SCHEMBL10286560 0.97 KDM4E (0.67) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL1680790 0.80 KDM4E (0.95) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL14967069 0.74 KDM4E (0.70) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL14967209 0.73 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL7902989 0.73 ACHE (0.46) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL4111155 0.72 KDM4E (0.59) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL10286208 0.71 KDM4E (0.37) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL7913070 0.71 KDM4E (0.75) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL10286468 0.71 BRD4 (0.48) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL8143615 0.71 ALDH1A1 (0.44) KDM4EALDH1A1NPC1RAB9AHPGD

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 12 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-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO 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 1154/4885NPC1 2400/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO KDM4E 1075/4885ALDH1A1 1110/4885NPC1 3975/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT KDM4E 428/4885ALDH1A1 1961/4885NPC1 4340/4885

“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.