SCHEMBL4417259

SCHEMBL4417259

Nc1cc2cc3cc[nH]c3cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
BACE1 P56817 1/20 0.40
CSNK2A1 P68400 1/20 0.38
AHR P35869 6/20 0.37
CYP2A6 P11509 3/20 0.37
NR4A2 P43354 2/20 0.37
CMA1 P23946 1/20 0.37
F7 P08709 1/20 0.37
LTA4H P09960 1/20 0.37
F3 P13726 1/20 0.37
TYR P14679 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
RAD51 Q06609 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F2 P00734 1/20 0.36
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4421227 0.93 GPR84 (0.42) GPR84BACE1CSNK2A1AHRCYP2A6
SCHEMBL4426289 0.78 GPR84 (0.42) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL4418834 0.78 TYR (0.46) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL4424142 0.75 BACE1 (0.48) BACE1
SCHEMBL5039467 0.74
SCHEMBL4428302 0.72 BACE1 (0.50) BACE1CYP2A6
SCHEMBL3731175 0.72 GPR84 (0.64) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL4429377 0.71 GPR84 (0.40) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL4430331 0.70 TYR (0.46) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL23714123 0.70 GPR84 (0.61) GPR84CSNK2A1AHRCYP2A6NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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 (2 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR84 3974/4885BACE1 3534/4885CSNK2A1 476/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR84 3974/4885BACE1 3534/4885CSNK2A1 476/4885

“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.