SCHEMBL5039652

SCHEMBL5039652

Nc1cc2[nH]c(NCCO)nc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.43
PKM P14618 1/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHUK O15111 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CCNA2 P20248 2/20 0.31

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
SCHEMBL5036544 0.81 HTT (0.34) POLBMEN1KMT2ABCHETRPC3
SCHEMBL5039453 0.73 ALDH1A1 (0.47) ALDH1A1POLBPKMCSNK2A2CSNK2B
SCHEMBL5042205 0.73 CYP2D6 (0.36) ALDH1A1POLBPKMCSNK2A2CSNK2B
SCHEMBL5039901 0.70 GAA (0.44) ALDH1A1POLBPKMCSNK2A2CSNK2B
SCHEMBL5036858 0.70 ADORA2A (0.33)
SCHEMBL5040781 0.70 PLAU (0.32)
SCHEMBL5040323 0.69 FABP6 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL5039760 0.69 CYP2D6 (0.37) POLBCYP2D6CYP2C19GAAMAPK1
SCHEMBL5039429 0.69 CYP2D6 (0.34) CYP2D6CYP2C19
SCHEMBL5036574 0.67 ILK (0.36) POLBCYP2D6CYP2C19GAAMAPK1

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 ALDH1A1 492/4885POLB 1157/4885PKM 294/4885

“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.