SCHEMBL5154549

SCHEMBL5154549

N#Cc1c(-c2ccccc2)nsc1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.47
ADORA2A P29274 14/20 0.47
ADORA2B P29275 1/20 0.44
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL12285001 0.80 NPC1 (0.56) ADORA1ADORA2AADORA2BHSD17B10MEN1
SCHEMBL11948735 0.79 ADORA1 (0.47) ADORA1ADORA2AADORA2BHSD17B10MEN1
SCHEMBL5150675 0.79 ADORA1 (0.56) ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL30852637 0.78 GRIA4 (0.46) ADORA1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL6741176 0.75 RXFP1 (0.47) ADORA1ADORA2AADORA2BHSD17B10MEN1
SCHEMBL1808677 0.73 PLA2G1B (0.52) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL19665238 0.73 ADORA1 (0.69) ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL5153937 0.72 KDM4E (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11790023 0.71 MEN1 (0.55) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL12002374 0.70 ALDH1A1 (0.47) ADORA1ADORA2AHSD17B10MEN1KMT2A

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 ADORA1 4715/4885ADORA2A 4740/4885ADORA2B 4596/4885

“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.