SCHEMBL5501490

SCHEMBL5501490

CCOc1nc2c(N)ccc(N(CC)CC)c2s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ACACB O00763 3/20 0.31
S100B P04271 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL5502784 0.89 ALDH1A1 (0.38) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL5500552 0.88 KDM4E (0.34) HSD17B10KDM4EMAPK1ACACB
SCHEMBL5506839 0.84 HSD17B10 (0.39) ALDH1A1MAPTHSD17B10KDM4EMAPK1
SCHEMBL5502703 0.81 ALDH1A1 (0.40) ALDH1A1MAPTGAAHSD17B10MAPK1
SCHEMBL5504749 0.80 KDM4E (0.43) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL5500674 0.77 KDM4E (0.34) HSD17B10KDM4EMAPK1ACACB
Ammonia Solution, Strong SCHEMBL5999836 0.77 HSD17B10 (0.35) ALDH1A1MAPTHSD17B10KDM4EMAPK1
SCHEMBL5507477 0.75 KDM4E (0.33) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL5505259 0.72 ALDH1A1 (0.45) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL5506021 0.71 DYRK1A (0.35) MAPTGAACYP3A4KMT2A

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 ALDH1A1 338/4885MAPT 191/4885GAA 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.