Sugi Predict

Sugi Predict / Compounds / SCHEMBL874316

SCHEMBL874316

SCHEMBL874316

C/C(=N\OCCCc1cccc(C=O)n1)c1cccc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ TERT O14746 7/20 0.33
▸ HKDC1 Q2TB90 1/20 0.32
▸ PPARG P37231 2/20 0.31
▸ PPARA Q07869 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 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
SCHEMBL874610 0.86 HSP90AA1 (0.35) HSP90AA1P2RX7HKDC1PPARGPPARA
SCHEMBL882656 0.86 HSP90AA1 (0.33) HSP90AA1P2RX7HKDC1KCNH2
SCHEMBL882995 0.85 P2RX7 (0.40) HSP90AA1P2RX7HKDC1PPARGPPARA
SCHEMBL5020366 0.84 CCR1 (0.41) HSP90AA1P2RX7HKDC1PPARGPPARA
SCHEMBL10273698 0.83 HSP90AA1 (0.38) HSP90AA1P2RX7HKDC1PPARGPPARA
SCHEMBL882865 0.83 HSP90AA1 (0.38) HSP90AA1P2RX7HKDC1PPARGPPARA
SCHEMBL882894 0.83 HSP90AA1 (0.38) HSP90AA1P2RX7HKDC1PPARGPPARA
SCHEMBL15464235 0.82 GRM5 (0.37) HSP90AA1P2RX7HKDC1PPARGPPARA
SCHEMBL5020378 0.82 GRM5 (0.37) HSP90AA1P2RX7HKDC1PPARGPPARA
SCHEMBL15465495 0.82 GRM5 (0.37) GRM5

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-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 — — US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 — — US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 — — US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 — — US disclosed
EP-2638011-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-09-18 — — EP disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 — — EP disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 — — WO disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 — — 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 (2 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 HSP90AA1 2350/4885P2RX7 630/4885TERT 4379/4885
US-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 HSP90AA1 1228/4885P2RX7 627/4885TERT 4336/4885

“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.