SCHEMBL5044838

SCHEMBL5044838

Nc1c(O)sc2nccn12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
CGAS Q8N884 2/20 0.32
CHRM4 P08173 1/20 0.32
F13A1 P00488 1/20 0.31
NUDT1 P36639 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
SCHEMBL5044966 0.78 IDO1 (0.36) IDO1CGASCHRM4F13A1NUDT1
SCHEMBL5045139 0.61 IDO1 (0.37) IDO1
SCHEMBL27374115 0.61 DYRK1A (0.38) IDO1
SCHEMBL11208936 0.61 PARP2 (0.37) IDO1
SCHEMBL11208928 0.61 TNKS2 (0.37) IDO1
SCHEMBL3214180 0.60 MAPT (0.42) IDO1
SCHEMBL5045826 0.57
SCHEMBL7328706 0.56 IDO1 (0.44) IDO1
SCHEMBL14788249 0.56 GRM5 (0.38) IDO1
SCHEMBL4016458 0.56 IDO1 (0.39) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744720-B1 KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds PROCTER & GAMBLE (US) 2008-11-26 EP claimed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US claimed
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-01 US claimed
EP-1744720-B1 KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds PROCTER & GAMBLE (US) 2008-11-26 EP disclosed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US disclosed
EP-1744720-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-24 EP disclosed
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-01 US disclosed
WO-2005079735-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-01 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-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, JUP, CKMT1A; CKMT1B IDO1 1001/4885CGAS 4705/4885CHRM4 2272/4885

“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.