SCHEMBL5020447

SCHEMBL5020447

COc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cccc(C)n3)n2)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
HSP90AA1 P07900 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
CHEK1 O14757 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNH2 Q12809 2/20 0.30
FFAR1 O14842 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
SCHEMBL15465206 1.00 CCR1 (0.33) CCR1CCR8HSP90AA1PPARGPPARA
SCHEMBL10289683 0.92 PPARG (0.32) PPARGPPARAKCNH2FFAR1
SCHEMBL10289682 0.90 KCNH2 (0.32) CCR1CCR8HSP90AA1PPARGPPARA
SCHEMBL5020233 0.90 PPARG (0.31) PPARGPPARA
SCHEMBL5020478 0.90 NPC1 (0.33) HSP90AA1PPARGPPARAKCNH2FFAR1
SCHEMBL5020366 0.89 CCR1 (0.41) CCR1CCR8HSP90AA1PPARGPPARA
SCHEMBL5020384 0.89 KMT2A (0.32) CCR1CCR8HSP90AA1
SCHEMBL5020385 0.89 CHRNB2 (0.34) CCR1CCR8HSP90AA1PPARGPPARA
SCHEMBL5020365 0.89 CCR1 (0.35) CCR1CCR8HSP90AA1KCNH2
SCHEMBL5020231 0.88 HSP90AA1 (0.36) HSP90AA1PPARGPPARAKCNH2FFAR1

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 CCR1 202/4885CCR8 831/4885HSP90AA1 1228/4885

“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.