SCHEMBL4429377

SCHEMBL4429377

Nc1sc2cc3[nH]ccc3cc2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
CSNK2A1 P68400 1/20 0.36
KIF11 P52732 1/20 0.36
AHR P35869 6/20 0.35
CYP2A6 P11509 3/20 0.35
NR4A2 P43354 2/20 0.35
CMA1 P23946 1/20 0.35
F7 P08709 1/20 0.35
LTA4H P09960 1/20 0.35
F3 P13726 1/20 0.35
TYR P14679 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
RAD51 Q06609 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F2 P00734 1/20 0.34
GFER P55789 1/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33

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
SCHEMBL4429397 0.83 TYR (0.41) GPR84CSNK2A1KIF11AHRCYP2A6
SCHEMBL4423427 0.83 TYR (0.41) GPR84CSNK2A1KIF11AHRCYP2A6
SCHEMBL20427261 0.72 GPR3 (0.48) GPR84CSNK2A1KIF11AHRCYP2A6
SCHEMBL4424494 0.72 GPR84 (0.40) GPR84CSNK2A1KIF11AHRCYP2A6
SCHEMBL4417259 0.71 GPR84 (0.42) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL4415801 0.70 ALDH1A1 (0.32)
SCHEMBL4421227 0.68 GPR84 (0.42) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL17791950 0.68 GPR84 (0.36) GPR84CSNK2A1KIF11AHRCYP2A6
SCHEMBL2530865 0.67 GPR84 (0.67) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL3131647 0.66 GPR84 (0.54) 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 3974/4885CSNK2A1 476/4885KIF11 883/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR84 3974/4885CSNK2A1 476/4885KIF11 883/4885

“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.