SCHEMBL5156446

SCHEMBL5156446

Cc1cc(NCC(O)CO)sc1N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.32
VDR P11473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5155018 0.71 CA2 (0.33) CA2KDM4EALDH1A1
SCHEMBL5492055 0.70 GAA (0.33)
SCHEMBL5154150 0.69 GLA (0.34) CA2KDM4EALDH1A1
SCHEMBL3858519 0.68 ALDH1A1 (0.46) ARVDRCYP1A2ALDH1A1
SCHEMBL3863528 0.68 VDR (0.47) ARVDRCYP1A2LMNAALDH1A1
Hydrochloric Acid SCHEMBL3860889 0.67 VDR (0.46) ARVDRCYP1A2LMNAALDH1A1
Hydrochloric Acid SCHEMBL3857846 0.67 ALDH1A1 (0.45) ARVDRCYP1A2ALDH1A1
SCHEMBL11225181 0.65 THRB (0.40) CYP1A2KDM4E
SCHEMBL5154301 0.62 MAPK14 (0.36) KDM4EALDH1A1
SCHEMBL8879520 0.62 LMNA (0.60) CYP1A2LMNAKDM4E

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 AR 1321/4885VDR 4137/4885CYP1A2 940/4885

“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.