SCHEMBL5506903

SCHEMBL5506903

CCNc1ccc(N)c2sc(OCC)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
GFER P55789 1/20 0.33
PLEC Q15149 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL5507477 0.89 KDM4E (0.33) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5507028 0.87 POLB (0.34) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5506839 0.84 HSD17B10 (0.39) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5502179 0.81 SMN1; SMN2 (0.39) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL5502784 0.75 ALDH1A1 (0.38) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5500674 0.72 KDM4E (0.34) KDM4EMAPK1HSD17B10
SCHEMBL5508082 0.72 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDHTT
Ammonia Solution, Strong SCHEMBL5999836 0.71 HSD17B10 (0.35) KDM4EMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL5502060 0.71 CYP3A4 (0.30) TDP1CYP3A4
SCHEMBL5501787 0.70 AR (0.32) KDM4EALDH1A1

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 KDM4E 279/4885MAPK1 1249/4885HSD17B10 1119/4885

“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.