SCHEMBL10286174

SCHEMBL10286174

Cc1ccnc2c1CCCCC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.36
NOS2 P35228 3/20 0.36
NOS1 P29475 1/20 0.36
KDM4E B2RXH2 5/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
RAB9A P51151 1/20 0.33
PARP1 P09874 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
BRD4 O60885 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 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
SCHEMBL883075 0.96 KDM4E (0.35) KDM4ECCR1CCR5CCR8ALDH1A1
SCHEMBL15267555 0.90 CCR1 (0.34) NOS3NOS2KDM4ECCR1CCR5
SCHEMBL10286088 0.80 HTR2A (0.35) NOS3NOS2NOS1KDM4EPARP1
SCHEMBL10286114 0.79 BCL2L1 (0.37) NOS3NOS2NOS1KDM4EPARP1
SCHEMBL10286197 0.79 NOS3 (0.43) NOS3NOS2NOS1PARP1BRD4
SCHEMBL10286198 0.79 ALDH1A1 (0.42) KDM4EALDH1A1HPGDBRD4HSD17B10
SCHEMBL10286154 0.79 NPC1 (0.34) NOS3NOS2NOS1RAB9APARP1
SCHEMBL10286507 0.77 GABRG2 (0.36) KDM4EALDH1A1HPGDBRD4LMNA
SCHEMBL10286147 0.76 ALDH1A1 (0.41) KDM4EPARP1ALDH1A1HPGDMEN1
SCHEMBL10286519 0.76 BRD4 (0.34) NOS3NOS2NOS1KDM4EPARP1

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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO NOS3 239/4885NOS2 193/4885NOS1 209/4885

“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.