SCHEMBL5154019

SCHEMBL5154019

Nc1occ(C(=O)O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.39
G6PD P11413 1/20 0.39
CASP6 P55212 1/20 0.39
KDM4E B2RXH2 7/20 0.38
MAOB P27338 1/20 0.37
KMT2A Q03164 6/20 0.35
LDHA P00338 1/20 0.35
GFER P55789 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
THRB P10828 3/20 0.34
CYP3A4 P08684 3/20 0.34
RECQL P46063 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 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
SCHEMBL12596491 0.73 G6PD (0.33) CASP7G6PDCASP6KDM4EMAOB
SCHEMBL31423766 0.71 ALDH1A1 (0.42) CASP7G6PDCASP6KDM4EMAOB
SCHEMBL28007892 0.70 G6PD (0.43) CASP7G6PDCASP6KDM4EMAOB
SCHEMBL2039550 0.67
SCHEMBL5150737 0.67 CYP1A2 (0.33) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL12596492 0.67 KDM4E (0.46) KDM4EMAOBKMT2AALDH1A1ALOX15
SCHEMBL690406 0.66 CASP7 (0.58) CASP7G6PDCASP6KDM4EKMT2A
SCHEMBL29792992 0.66 CASP7 (0.58) CASP7G6PDCASP6KDM4EKMT2A
SCHEMBL638220 0.63
SCHEMBL5158064 0.63 SELL (0.39) KDM4EMAOBKMT2ALDHAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 CASP7 1081/4885G6PD 559/4885CASP6 1258/4885

“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.