SCHEMBL5020359

SCHEMBL5020359

COc1cc(C)nc(-c2cccc(CCCON)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
BACE1 P56817 1/20 0.35
FFAR1 O14842 2/20 0.35
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
DHFR P00374 1/20 0.33
IDO1 P14902 3/20 0.33
AGXT P21549 2/20 0.33
MPO P05164 1/20 0.32
PDE10A Q9Y233 1/20 0.31
NQO2 P16083 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
SCHEMBL15464935 0.82 CCR1 (0.50) KCNH2BACE1FFAR1NOS1NOS2
SCHEMBL5020478 0.81 NPC1 (0.33) KCNH2FFAR1
SCHEMBL4562000 0.79 RECQL (0.49) FFAR1
SCHEMBL5020447 0.79 CCR1 (0.33) KCNH2FFAR1CCR1CCR8
SCHEMBL15465206 0.79 CCR1 (0.33) KCNH2FFAR1CCR1CCR8
SCHEMBL5020231 0.79 HSP90AA1 (0.36) KCNH2FFAR1
SCHEMBL5020316 0.79 FFAR1 (0.39) FFAR1CCR1CCR8PDE10A
SCHEMBL10289683 0.78 PPARG (0.32) KCNH2FFAR1NOS1NOS2
SCHEMBL5020233 0.78 PPARG (0.31)
SCHEMBL15470588 0.76 CCR1 (0.59) FFAR1CCR1CCR8

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 KCNH2 2388/4885BACE1 1547/4885FFAR1 629/4885

“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.