SCHEMBL5154346

SCHEMBL5154346

Nc1nc(-c2cccs2)c(N)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 3/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 4/20 0.50
EPHX2 P34913 1/20 0.50
ADORA2A P29274 3/20 0.47
DHFR P00374 1/20 0.47
RPS6KB2 Q9UBS0 3/20 0.46

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
SCHEMBL29518891 0.81 MEN1 (0.67) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL19638019 0.78 MEN1 (0.61) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL14148666 0.78 ALDH1A1 (0.59) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL14148746 0.74 MAPT (0.51) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL14148601 0.73 MEN1 (0.44) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL14148754 0.73 NPC1 (0.68) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL10536233 0.73 MEN1 (0.55) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL14148751 0.72 CYP2A6 (0.59) MEN1KMT2AALDH1A1HSD17B10GAA
SCHEMBL14148625 0.70 ADORA2A (0.50) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL543685 0.69 ALDH1A1 (0.68) MEN1KMT2AALDH1A1HSD17B10MAPT

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
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 MEN1 4871/4885KMT2A 1179/4885ALDH1A1 782/4885

“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.