SCHEMBL4711248

SCHEMBL4711248

CCCCCNc1cccnc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.53
TLR8 Q9NR97 3/20 0.48
TLR7 Q9NYK1 1/20 0.47
NPC1 O15118 1/20 0.42
SHMT2 P34897 1/20 0.41
UTS2R Q9UKP6 2/20 0.40
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
S1PR2 O95136 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL19897481 0.95 BACE1 (0.54) BACE1TLR8TLR7NPC1SHMT2
SCHEMBL516228 0.81 UTS2R (0.49) TLR8TLR7NPC1UTS2RS1PR2
SCHEMBL9977872 0.81 BACE1 (0.50) BACE1TLR7SHMT2HSP90AA1HSP90AB1
SCHEMBL3060454 0.80 BACE1 (0.61) BACE1SHMT2NOS3NOS1NOS2
SCHEMBL8510590 0.80 L3MBTL1 (0.45) TLR8TLR7NPC1UTS2RHSP90AA1
SCHEMBL11666498 0.80 NPC1 (0.42) TLR8TLR7NPC1UTS2RHSP90AA1
SCHEMBL9977915 0.80 BACE1 (0.49) BACE1TLR8TLR7SHMT2HSP90AA1
SCHEMBL1170549 0.79 TLR8 (0.49) TLR8NPC1S1PR2LMNASMN1; SMN2
SCHEMBL29922455 0.79 TLR8 (0.49) TLR8NPC1S1PR2LMNASMN1; SMN2
SCHEMBL24846448 0.79 UTS2R (0.44) TLR8TLR7NPC1UTS2RHSP90AA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982749-B1 Novel hair colouring compositions for use in oxidative hair dyeing PROCTER & GAMBLE (US) 2013-04-17 EP disclosed
CN-101137345-B Novel hair coloring compositions for oxidative hair dyeing PROCTER & GAMBLE 2012-10-31 CN disclosed
EP-1982749-A3 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-11-12 EP disclosed
EP-1982749-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-10-22 EP disclosed
EP-1982749-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-10-22 EP disclosed
EP-1982748-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter & Gamble (US) 2008-10-22 EP disclosed
CN-101137345-A Novel hair coloring compositions for oxidative hair dyeing PROCTER & GAMBLE (US) 2008-03-05 CN disclosed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1855644-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING The Procter and Gamble Company (US) 2007-11-21 EP disclosed
EP-1855644-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING The Procter and Gamble Company (US) 2007-11-21 EP disclosed
WO-2006099115-A3 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING PROCTER & GAMBLE (US) 2006-12-21 WO disclosed
WO-2006099115-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING THE PROCTER & GAMBLE COMPANY (US) 2006-09-21 WO disclosed
WO-2006099115-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING THE PROCTER & GAMBLE COMPANY (US) 2006-09-21 WO disclosed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 US disclosed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 US disclosed
US-4358454-A ANTIULCER AGENT SCHERING CORPORATION (US) 1982-11-09 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-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing COXFA4L2, TYR, GPX4 BACE1 2194/4885TLR8 4313/4885TLR7 4517/4885

“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.