SCHEMBL5504755

SCHEMBL5504755

CN(C)c1nc2c(N)ccc(N)c2s1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL5510456 0.80 TP53 (0.36) GAA
SCHEMBL5507282 0.80 KDM4E (0.33) HTTGAA
SCHEMBL5502479 0.74 SLC29A1 (0.30)
SCHEMBL5501897 0.74 TLR8 (0.47) HTT
SCHEMBL5505676 0.73 SMN1; SMN2 (0.52) HTTGAA
SCHEMBL5510822 0.70 SMN1; SMN2 (0.42) HTTMGAMGAASIMGAM2
SCHEMBL5504663 0.70 SMN1; SMN2 (0.42) HTTMGAMGAASIMGAM2
SCHEMBL5500718 0.69 CYP3A4 (0.35) HTT
SCHEMBL5508010 0.69 TLR8 (0.51) GAA
SCHEMBL5501692 0.69 TLR8 (0.41) HTTGAA

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 HTT 3557/4885MGAM 2998/4885GAA 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.