SCHEMBL5040323

SCHEMBL5040323

Nc1nc2oc(N)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.39
NUDT1 P36639 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MASP2 O00187 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 1/20 0.38
PNP P00491 2/20 0.37
PLAU P00749 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
BACE1 P56817 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
CYP3A4 P08684 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30

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
SCHEMBL5036329 0.79 PLAU (0.43) FABP6NUDT1ALDH1A1MASP2MEN1
SCHEMBL5040781 0.79 PLAU (0.32) PLAU
SCHEMBL5040957 0.75 FABP6 (0.38) FABP6NUDT1ALDH1A1MASP2MEN1
SCHEMBL5039635 0.71 HRH4 (0.36) FABP6MEN1KMT2A
SCHEMBL5039846 0.71 MAPT (0.36) FABP6NUDT1ALDH1A1MASP2MEN1
SCHEMBL5036544 0.71 HTT (0.34) MEN1KMT2A
SCHEMBL5044558 0.70 PLAU (0.33) FABP6PLAU
SCHEMBL5042205 0.69 CYP2D6 (0.36) FABP6ALDH1A1MEN1KMT2APNP
SCHEMBL5036858 0.69 ADORA2A (0.33)
SCHEMBL5044776 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US claimed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B FABP6 1036/4885NUDT1 3269/4885ALDH1A1 492/4885

“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.