SCHEMBL18157928

SCHEMBL18157928

Cc1cccnc1CC(c1ncccc1C)C(N)c1ncccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CXCR4 P61073 3/20 0.34
DAO P14920 1/20 0.33
ADORA2A P29274 6/20 0.33
ADORA1 P30542 5/20 0.33
PLAU P00749 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 2/20 0.31
KCNH2 Q12809 2/20 0.31
HRH1 P35367 1/20 0.31
SCN4A P35499 3/20 0.30
LMNA P02545 2/20 0.30
CYP1A2 P05177 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
SCHEMBL28450031 0.76 NOS3 (0.45) NOS3NOS1NOS2CXCR4ADORA2A
SCHEMBL11196155 0.75 NOS3 (0.44) NOS3NOS1NOS2CXCR4DAO
SCHEMBL18160810 0.73 NOS3 (0.42) NOS3NOS1NOS2CXCR4DAO
SCHEMBL825269 0.73 NOS3 (0.42) NOS3NOS1NOS2CXCR4DAO
SCHEMBL31256701 0.72 NOS3 (0.43) NOS3NOS1NOS2CXCR4DAO
SCHEMBL12088700 0.72 NOS3 (0.43) NOS3NOS1NOS2CXCR4DAO
SCHEMBL825251 0.72 NOS3 (0.38) NOS3NOS1NOS2CXCR4DAO
SCHEMBL23747533 0.70 NOS3 (0.50) NOS3NOS1NOS2PLAUMAOA
SCHEMBL20482609 0.70 NOS3 (0.50) NOS3NOS1NOS2PLAUMAOA
SCHEMBL30140878 0.70 NOS3 (0.50) NOS3NOS1NOS2PLAUMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 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 (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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 NOS3 2906/4885NOS1 1958/4885NOS2 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.