SCHEMBL18506763

SCHEMBL18506763

Cn1c2ccccc2c2cc(-c3ccccc3-c3ccccn3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.46
GPR3 P46089 1/20 0.44
BRD4 O60885 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
RAB9A P51151 1/20 0.41
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39

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
SCHEMBL18506674 0.96 BRD4 (0.43) NPY5RBRD4KDM4EMAPTMEN1
SCHEMBL1929195 0.88 GPR3 (0.50) NPY5RGPR3BRD4KDM4EMAPT
SCHEMBL20033363 0.88 BRD4 (0.41) NPY5RBRD4BRD2BRD3BAZ2B
SCHEMBL1610423 0.88 KMO (0.39) NPY5RBRD4KDM4EALDH1A1NPC1
SCHEMBL20033364 0.87 MAPT (0.40) NPY5RBRD4MAPTPDE10ATGFBR1
SCHEMBL12396566 0.86 NPY5R (0.37) NPY5RGPR3BRD4KDM4EMAPT
SCHEMBL12249813 0.84 NPY5R (0.43) NPY5RGPR3BRD4KDM4EMAPT
SCHEMBL17809442 0.83 GPR3 (0.59) NPY5RGPR3KDM4EMAPTMEN1
SCHEMBL20033373 0.83 BRD4 (0.47) GPR3BRD4KDM4EMAPTMEN1
SCHEMBL16118404 0.83 GRM5 (0.42) NPY5RBRD4KDM4EL3MBTL1BRD2

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-9941422-B2 Organic photoelectric conversion element and solar cell using the same Konica Minolta, Inc. (JP) 2018-04-10 US disclosed
US-20170117491-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED IN THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-27 US disclosed
US-20170117491-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED IN THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-27 US disclosed
EP-3131131-A1 LIGHT-EMISSION ELEMENT, AND COMPOSITION USED THEREIN Sumitomo Chemical Company Limited (JP) 2017-02-15 EP 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-20170117491-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED IN THE SAME CYBA, CRY1, AP2A1 NPY5R 4759/4885GPR3 4154/4885BRD4 3313/4885

“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.