SCHEMBL17758331

SCHEMBL17758331

Nc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.45
PDE3A Q14432 4/20 0.45
PARP1 P09874 1/20 0.45
KIF11 P52732 6/20 0.42
NOTUM Q6P988 1/20 0.39
DYRK1A Q13627 1/20 0.38
TDP2 O95551 1/20 0.38
MAP4K4 O95819 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36

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
SCHEMBL17758356 0.84 ALDH1A1 (0.43) PDE3BPDE3ANOTUMKMT2AGRIA1
SCHEMBL17758352 0.78 PDE3B (0.53) PDE3BPDE3APARP1MAP4K4KMT2A
SCHEMBL2422734 0.75 PDE3B (0.45) PDE3BPDE3ANOTUMTDP2
SCHEMBL17758329 0.73 GRIA1 (0.44) PDE3BPDE3ANOTUMKMT2AGRIA1
SCHEMBL2417276 0.72 KMT2A (0.55) KIF11KMT2A
SCHEMBL30443527 0.72 KMT2A (0.55) KIF11KMT2A
SCHEMBL8354646 0.70 MAPK14 (0.53) PARP1KIF11NOTUM
SCHEMBL1578151 0.69 KIF11 (0.61) KIF11MAP4K4
SCHEMBL6011433 0.69 KIF11 (0.61) KIF11MAP4K4
SCHEMBL16652113 0.69 ALDH1A1 (0.61) PARP1KIF11NOTUM

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 4129/4885PARP1 844/4885

“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.