SCHEMBL15426480

SCHEMBL15426480

CNc1cc(C)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.56
NOS2 P35228 4/20 0.56
NOS1 P29475 3/20 0.56
CYP2A6 P11509 2/20 0.43
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
PLAU P00749 1/20 0.34
CYP1A2 P05177 1/20 0.32
AOC1 P19801 1/20 0.32
AOC3 Q16853 1/20 0.32
NPC1 O15118 1/20 0.32
CRHR1 P34998 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MKNK1 Q9BUB5 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
SCHEMBL17052891 0.77 CCR1 (0.38) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL20859298 0.77 IDO1 (0.39) NOS3NOS2NOS1ALDH1A1PLAU
SCHEMBL12722223 0.77 KMT2A (0.54) NOS3NOS2NOS1ALDH1A1NPC1
SCHEMBL15204154 0.77 NOS3 (0.34) NOS3NOS2NOS1AOC1AOC3
SCHEMBL29705465 0.77 KMT2A (0.54) NOS3NOS2NOS1ALDH1A1NPC1
SCHEMBL20708654 0.76 NOS3 (0.37) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL20703908 0.75 NOS3 (0.47) NOS3NOS2NOS1CYP2A6ALDH1A1
SCHEMBL29599601 0.75 NOS3 (0.47) NOS3NOS2NOS1CYP2A6ALDH1A1
SCHEMBL15718414 0.74 CCR1 (0.35) NOS3NOS2NOS1CCR1CCR5
SCHEMBL27688260 0.74 NOS3 (0.35) NOS3NOS2NOS1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 NOS3 834/4885NOS2 1234/4885NOS1 859/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 NOS3 755/4885NOS2 1161/4885NOS1 800/4885

“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.