SCHEMBL7912975

SCHEMBL7912975

COC(=O)c1cc2c(nc1C)C(=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
GAA P10253 1/20 0.42
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SPR P35270 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7902989 0.97 ACHE (0.46) ACHEGAAKDM4EKMT2ANPC1
SCHEMBL7910240 0.82 ACHE (0.44) ACHEGAAKDM4EKMT2ANPC1
SCHEMBL7910243 0.82 ACHE (0.44) ACHEGAAKDM4EKMT2ANPC1
SCHEMBL7910321 0.81 ACHE (0.43) ACHEGAAKDM4EKMT2ANPC1
SCHEMBL7910323 0.81 ACHE (0.43) ACHEGAAKDM4EKMT2ANPC1
SCHEMBL8143615 0.81 ALDH1A1 (0.44) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL12797321 0.78 ACHE (0.41) ACHEGAAKDM4EKMT2ANPC1
SCHEMBL883087 0.77 MAPT (0.36) GAAKDM4EKMT2ANPC1RAB9A
SCHEMBL927885 0.77 SLC9A1 (0.60) ACHEGAAKDM4EKMT2ANPC1
SCHEMBL10286580 0.76 ALDH1A1 (0.44) GAAKDM4EKMT2ANPC1ALDH1A1

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-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed
US-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 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 (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 ACHE 2246/4885GAA 1211/4885KDM4E 3618/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO ACHE 660/4885GAA 1273/4885KDM4E 1075/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT ACHE 736/4885GAA 1279/4885KDM4E 428/4885

“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.