SCHEMBL5020231

SCHEMBL5020231

COc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3ncccn3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
FFAR1 O14842 6/20 0.36
KCNH2 Q12809 3/20 0.33
F2 P00734 2/20 0.33
CRHR1 P34998 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TBXA2R P21731 4/20 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
SCHEMBL5020478 0.92 NPC1 (0.33) HSP90AA1FFAR1KCNH2PPARGPPARA
SCHEMBL5020447 0.88 CCR1 (0.33) HSP90AA1FFAR1KCNH2PPARGPPARA
SCHEMBL15465206 0.88 CCR1 (0.33) HSP90AA1FFAR1KCNH2PPARGPPARA
SCHEMBL10289683 0.86 PPARG (0.32) FFAR1KCNH2PPARGPPARA
SCHEMBL5020233 0.86 PPARG (0.31) PPARGPPARA
SCHEMBL5020230 0.85 FFAR1 (0.31) HSP90AA1FFAR1
SCHEMBL5020228 0.80 FFAR1 (0.41) FFAR1
SCHEMBL10289682 0.80 KCNH2 (0.32) HSP90AA1KCNH2PPARGPPARA
SCHEMBL5020385 0.79 CHRNB2 (0.34) HSP90AA1KCNH2F2PPARGPPARA
SCHEMBL5020359 0.79 KCNH2 (0.36) FFAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 HSP90AA1 1228/4885FFAR1 629/4885KCNH2 2388/4885

“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.