SCHEMBL18158092

SCHEMBL18158092

NCCc1cccc(CNC(Cc2ccccn2)c2ccccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.49
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CXCR4 P61073 1/20 0.35
APP P05067 4/20 0.34
FDPS P14324 1/20 0.34
PTPRA P18433 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
PRMT1 Q99873 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL18158081 0.86 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18157938 0.85 FDPS (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18158043 0.85 MAOA (0.40) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18157994 0.82 CXCR4 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19214816 0.82 HRH1 (0.51) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18158095 0.81 PTPRA (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL58388 0.80 HRH1 (0.46) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18157950 0.77 FABP1 (0.49) CXCR4APPALDH1A1L3MBTL1
SCHEMBL20024594 0.77 HRH1 (0.62) HRH1MAOAMAOBAPPHRH3
SCHEMBL18157959 0.76 HRH3 (0.51) HRH1GRIN2DGRIN3BGRIN1GRIN2A

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 HRH1 1572/4885GRIN2D 3742/4885GRIN3B 3694/4885

“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.