SCHEMBL17758352

SCHEMBL17758352

Nc1cc2[nH]c(=O)[nH]c2cc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.53
PDE3A Q14432 3/20 0.53
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PLA2G10 O15496 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AURKB Q96GD4 2/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL17758331 0.78 PDE3B (0.45) PDE3BPDE3AMAP4K4GRIA1CACNG8
SCHEMBL17758356 0.78 ALDH1A1 (0.43) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL17758329 0.76 GRIA1 (0.44) PDE3BPDE3AKDM4EGAAHTT
SCHEMBL2894232 0.75 PDE3B (0.50) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL16615862 0.75 ALDH1A1 (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL18190680 0.74 PDE3B (0.53) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL23580014 0.74 ADORA3 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL29384664 0.74 ADORA3 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL21496769 0.74 PDE3B (0.48) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL17758359 0.73 PARP1 (0.44) PDE3BPDE3AALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160136077-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING AN AMINOBENZIMIDAZOLONE OXIDATION BASE AND A METAL CATALYST L'OREAL (FR) 2016-05-19 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-20160136077-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING AN AMINOBENZIMIDAZOLONE OXIDATION BASE AND A METAL CATALYST KRT18, CYB5R3, AOC3 PDE3B 4166/4885PDE3A 4129/4885PDE4A 4757/4885

“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.