SCHEMBL5154593

SCHEMBL5154593

Nc1onc(Cc2ccco2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 2/20 0.34
BLM P54132 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ALOX5 P09917 1/20 0.33
USP2 O75604 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MLYCD O95822 1/20 0.32
MGMT P16455 1/20 0.32
RAB9A P51151 3/20 0.32

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
SCHEMBL5151095 0.71 SMN1; SMN2 (0.36) PNPGAAMAPTKMT2AKDM4E
SCHEMBL8834668 0.70 ALDH1A1 (0.41) GAAMAPTKMT2AKDM4EBLM
SCHEMBL1404275 0.70 CHRM2 (0.46) GAAMAPTKMT2AKDM4EALDH1A1
SCHEMBL30483214 0.67 ALDH1A1 (0.38) PNPGAAMAPTKMT2AKDM4E
SCHEMBL1498698 0.66 PNP (0.44) PNPGAAMAPTKMT2AKDM4E
SCHEMBL27631587 0.66 PNP (0.37) PNPGAAMAPTALDH1A1HSD17B10
SCHEMBL5151124 0.66 MAPT (0.52) MAPTKMT2AKDM4EBLMALDH1A1
SCHEMBL15934206 0.66 HSD17B10 (0.45) GAAMAPTKMT2AKDM4EBLM
SCHEMBL9387184 0.66 GAA (0.40) PNPGAAKMT2AKDM4EALDH1A1
SCHEMBL14713173 0.64 HSD17B10 (0.40) PNPGAAMAPTKMT2AKDM4E

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 PNP 4636/4885GAA 3450/4885MAPT 290/4885

“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.