SCHEMBL5039736

SCHEMBL5039736

CCN(CCO)c1cc2sc(N)nc2o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP3A4 P08684 3/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PI4KA P42356 1/20 0.30
PIK3CG P48736 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
MKNK1 Q9BUB5 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
SCHEMBL5040231 0.92 CYP3A4 (0.34) HTTSMN1; SMN2CYP3A4DRD2ALDH1A1
SCHEMBL5039687 0.75 SLC29A1 (0.36) SLC29A1HTTNPC1RAB9AMKNK1
SCHEMBL5036704 0.74 SLC29A1 (0.35) SLC29A1HTTNPC1RAB9AMKNK1
SCHEMBL5040120 0.72 SLC29A1 (0.36) SLC29A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL5041342 0.70 SLC29A1 (0.34) SLC29A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL5039544 0.69 CYP3A4 (0.30) CYP3A4
SCHEMBL5039666 0.66 SMN1; SMN2 (0.36) HTTSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL5157440 0.65 HTT (0.40) SLC29A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL5041889 0.65 ALDH1A1 (0.39) HTTSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL5039902 0.65

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-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B SLC29A1 4838/4885HTT 2883/4885SMN1; SMN2 4773/4885

“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.