SCHEMBL5506947

SCHEMBL5506947

Nc1ccc(N2CCCC2)c2nc(OCCO)sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 3/20 0.40
THRB P10828 3/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
TDP2 O95551 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SLC29A1 Q99808 1/20 0.39
ALOX15 P16050 2/20 0.35
S100B P04271 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5505427 0.81 PIK3CD (0.35) ALDH1A1RECQL
SCHEMBL5504198 0.76 ALDH1A1 (0.50) GAAMEN1MAPTKMT2AL3MBTL1
SCHEMBL5505259 0.75 ALDH1A1 (0.45) GAAMEN1MAPTKMT2AL3MBTL1
SCHEMBL5501787 0.68 AR (0.32) ALDH1A1KDM4E
SCHEMBL5500602 0.68 TSHR (0.39) MAPTTDP1MAP4K4CLK4
SCHEMBL5505795 0.67 ALDH1A1 (0.50) GAAMEN1MAPTKMT2AL3MBTL1
SCHEMBL2415931 0.67 SLC29A1 (0.42) SLC29A1HTTLMNAHSD17B10MAP4K4
SCHEMBL5504872 0.65
SCHEMBL5502279 0.65 ALDH1A1 (0.50) GAAMEN1MAPTKMT2AL3MBTL1
SCHEMBL5506692 0.64 ALDH1A1 (0.57) GAAMEN1MAPTKMT2AL3MBTL1

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 GAA 3359/4885MEN1 4828/4885MAPT 191/4885

“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.