SCHEMBL5505259

SCHEMBL5505259

CCOc1nc2c(N)ccc(N3CCCC3)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
GAA P10253 6/20 0.45
MEN1 O00255 5/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
THRB P10828 3/20 0.45
RECQL P46063 2/20 0.45
BLM P54132 2/20 0.45
TDP2 O95551 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL5506839 0.80 HSD17B10 (0.39) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL5504273 0.79 ALDH1A1 (0.49) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL5502279 0.78 ALDH1A1 (0.50) ALDH1A1GAAMEN1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL5999836 0.77 HSD17B10 (0.35) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL5506947 0.75 GAA (0.40) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL5507477 0.72 KDM4E (0.33) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL5501490 0.72 ALDH1A1 (0.38) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL5500552 0.69 KDM4E (0.34) MAPK1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL5502784 0.67 ALDH1A1 (0.38) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL5506903 0.67 KDM4E (0.33) ALDH1A1GAAMEN1MAPTKMT2A

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 338/4885GAA 3359/4885MEN1 4828/4885

“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.