SCHEMBL5502279

SCHEMBL5502279

Nc1nc2c(N)ccc(N3CCCC3)c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
GAA P10253 9/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
THRB P10828 3/20 0.50
RECQL P46063 2/20 0.50
BLM P54132 2/20 0.50
TDP2 O95551 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
S100B P04271 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL5504198 0.87 ALDH1A1 (0.50) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL5504273 0.86 ALDH1A1 (0.49) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL5995267 0.83 SMN1; SMN2 (0.58) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL3055076 0.80 ALDH1A1 (0.60) ALDH1A1TDP1ALOX15SMN1; SMN2HPGD
SCHEMBL5505259 0.78 ALDH1A1 (0.45) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL5505676 0.74 SMN1; SMN2 (0.52) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL5506692 0.73 ALDH1A1 (0.57) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL8358665 0.72 HPGD (0.44) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL3057234 0.70 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1TDP1ALOX15
SCHEMBL3052496 0.70 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1TDP1ALOX15

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.