SCHEMBL5502179

SCHEMBL5502179

CCNc1ccc(N)c2sc(N)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 5/20 0.36
HTT P42858 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
PLEC Q15149 1/20 0.36
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
IDO1 P14902 2/20 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
SCHEMBL5506726 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HTTGAAMAPT
SCHEMBL5505517 0.81 PAK4 (0.40) SMN1; SMN2ALDH1A1HTTGAAMAPT
SCHEMBL5506903 0.81 KDM4E (0.33) ALDH1A1HTTGAAMAPTKDM4E
SCHEMBL5505826 0.77 KDM4E (0.33) SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL6868648 0.76 CYP3A4 (0.47) SMN1; SMN2ALDH1A1GAAMAPTKDM4E
SCHEMBL5504239 0.75 POLB (0.45) SMN1; SMN2ALDH1A1HTTGAAMAPT
SCHEMBL5505676 0.74 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTGAAMAPT
SCHEMBL5508082 0.74 KDM4E (0.36) ALDH1A1HTTGAAMAPTKDM4E
SCHEMBL5510300 0.73 KDM4E (0.40) SMN1; SMN2ALDH1A1HTTGAAMAPT
SCHEMBL5505858 0.71 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HTTGAAMAPT

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
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP claimed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO claimed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US claimed
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP disclosed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO disclosed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US 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-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, DSP, KRTCAP2 SMN1; SMN2 4645/4885ALDH1A1 338/4885HTT 3557/4885

“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.