Sugi Predict

Sugi Predict / Compounds / SCHEMBL875730

SCHEMBL875730

SCHEMBL875730

Cc1ncc2c(n1)C(=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MAOA P21397 3/20 0.33
▸ MAOB P27338 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ PLK3 Q9H4B4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NTRK1 P04629 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
SCHEMBL427251 0.78 MAOA (0.33) KDM4EALDH1A1HPGDHSD17B10MAOA
SCHEMBL30777930 0.78 MAOA (0.33) KDM4EALDH1A1HPGDHSD17B10MAOA
SCHEMBL13591831 0.78 KDM4E (0.49) KDM4EALDH1A1HTT
SCHEMBL29436911 0.77 CYP1A2 (0.36) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL22965056 0.77 CYP1A2 (0.36) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11294777 0.77 IKBKB (0.38) MAOAMAOBNPC1TSHRRAB9A
SCHEMBL15759146 0.74 KDM4E (0.57) KDM4EALDH1A1MAOAMAOBKMT2A
SCHEMBL29508228 0.72 CDK5 (0.47) KDM4EMAOBNPC1RAB9AGRM5
SCHEMBL11561562 0.72 CDK5 (0.47) KDM4EMAOBNPC1RAB9AGRM5
SCHEMBL19152982 0.72 TSHR (0.40) KDM4EALDH1A1HPGDHSD17B10MAOA

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 9 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-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 — — US disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 — — EP disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 — — WO disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 — — WO disclosed
WO-2012117021-A2 NOVEL MICROBIOCIDAL OXIME ETHERS SYNGENTA PARTICIPATIONS AG (CH) 2012-09-07 — — WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 — — WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 — — 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 KDM4E 3618/4885ALDH1A1 1154/4885HPGD 1427/4885

“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.