SCHEMBL5156300

SCHEMBL5156300

CN(CCO)c1cnc(N)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
NOS1 P29475 1/20 0.39
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
AURKB Q96GD4 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL5154288 0.81 NOS1 (0.38) POLBNOS1SMN1; SMN2HSD17B10TSHR
SCHEMBL13228998 0.79 NOS1 (0.37) POLBNOS1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL5157942 0.79 NOS1 (0.37) POLBNOS1SMN1; SMN2HSD17B10TSHR
SCHEMBL27667547 0.76 SMN1; SMN2 (0.39) POLBNOS1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL25000856 0.75 POLB (0.39) POLBMAPK1HSD17B10ALDH1A1L3MBTL1
SCHEMBL3055975 0.74
SCHEMBL5156996 0.71 POLB (0.42) POLBMAPK1HSD17B10JAK2JAK1
SCHEMBL27586868 0.71 CCNE1 (0.45) MAPT
SCHEMBL5156657 0.70 POLB (0.33) POLBMAPK1ALDH1A1MAPTL3MBTL1
SCHEMBL5875748 0.67 SMN1; SMN2 (0.43) POLBNOS1MAPK1SMN1; SMN2HSD17B10

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 7 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
CN-1913865-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-14 CN 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 POLB 1167/4885NOS1 1422/4885MAPK1 2646/4885

“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.