SCHEMBL5507282

SCHEMBL5507282

CCNc1ccc(N)c2nc(N(C)C)sc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
PLEC Q15149 1/20 0.33
AOC1 P19801 1/20 0.31
AOC3 Q16853 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL5510300 0.81 KDM4E (0.40) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL5504755 0.80 HTT (0.35) GAAHTT
SCHEMBL5507477 0.76 KDM4E (0.33) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL5510983 0.75 GAA (0.34) GAAMAPT
SCHEMBL5504239 0.70 POLB (0.45) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL5502179 0.70 SMN1; SMN2 (0.39) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL5510456 0.69 TP53 (0.36) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL5508129 0.67 TLR8 (0.40) KDM4EALDH1A1GAAHPGD
SCHEMBL5999783 0.66 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL6868648 0.66 CYP3A4 (0.47) KDM4EALDH1A1GAAMAPTHPGD

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 KDM4E 279/4885ALDH1A1 338/4885GAA 3359/4885

“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.