SCHEMBL18157981

SCHEMBL18157981

NC(c1ccc2ccccc2n1)C(Cc1ccc2ccccc2n1)c1ccc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NCF1 P14598 1/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38
PDE10A Q9Y233 4/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14478261 0.75 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2GPBAR1NCF1
SCHEMBL7247476 0.75 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2GPBAR1NCF1
SCHEMBL14478292 0.75 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2GPBAR1NCF1
SCHEMBL2183632 0.73 CYP1A2 (0.45) CYP1A2CYSLTR1CYSLTR2GPBAR1ALDH1A1
SCHEMBL19407459 0.72 GRIN2D (0.53) CYP1A2CYSLTR1CYSLTR2GPBAR1NCF1
SCHEMBL21848463 0.72 EPHX1 (0.44) CYP1A2ALDH1A1HSD17B10NCF1NOS2
SCHEMBL7863689 0.71 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1ALDH1A1
SCHEMBL7863691 0.71 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1ALDH1A1
SCHEMBL7862715 0.71 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1ALDH1A1
SCHEMBL1539349 0.71 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1ALDH1A1

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 CYP1A2 3189/4885CYSLTR1 3332/4885CYSLTR2 3524/4885

“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.