SCHEMBL17758383

SCHEMBL17758383

Nc1cc2[nH]c(=O)[nH]c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
DAO P14920 1/20 0.38
MAPT P10636 4/20 0.36
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 2/20 0.34
MPO P05164 1/20 0.34
XDH P47989 1/20 0.34
KLK7 P49862 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
SCHEMBL3786399 0.83 PDE3B (0.50) PDE3BPDE3AGAAPKMDAO
SCHEMBL2894232 0.83 PDE3B (0.50) PDE3BPDE3AGAAPKMMAPT
SCHEMBL1827312 0.73 ALDH1A1 (0.53) PDE3BPDE3AGAAPKMMAPT
SCHEMBL22725084 0.73 MAPT (0.42) PDE3BPDE3AGAAPKMDAO
SCHEMBL31748445 0.73 MAPT (0.42) PDE3BPDE3AGAAPKMDAO
SCHEMBL1115539 0.73 GRIA1 (0.50) PDE3BPDE3AGAAPKMMAPT
SCHEMBL3341909 0.73 CASP7 (0.49) PDE3BPDE3AGAAPKMMAPT
SCHEMBL6739346 0.73 PDE3B (0.41) PDE3BPDE3AGAAPKMMAPT
SCHEMBL1439986 0.73 ALDH1A1 (0.63) PDE3BPDE3AMAPTGRIA1CACNG8
SCHEMBL15322773 0.73 GRIN2D (0.50) PDE3BPDE3AGAAPKMDAO

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 4129/4885GAA 4629/4885

“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.