SCHEMBL4420685

SCHEMBL4420685

Nc1cc2c(ccc3[nH]c(N)cc32)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.48
PARP1 P09874 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
AHR P35869 1/20 0.40
KIF11 P52732 4/20 0.38
EHMT2 Q96KQ7 1/20 0.37
HPGD P15428 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
GPR3 P46089 1/20 0.35
AR P10275 1/20 0.34
NGFR P08138 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
SCHEMBL4426306 0.86 AOC3 (0.39) AOC3PARP1ALDH1A1HSD17B10KDM4E
SCHEMBL4420829 0.84 AOC3 (0.38) AOC3PARP1ALDH1A1HSD17B10KDM4E
SCHEMBL4421167 0.81 AOC3 (0.35) AOC3PARP1ALDH1A1HSD17B10KDM4E
SCHEMBL4420696 0.79 MAPT (0.37) AOC3PARP1ALDH1A1KDM4EMEN1
SCHEMBL4423127 0.77 AR (0.35) AOC3PARP1ALDH1A1HSD17B10KDM4E
SCHEMBL30939503 0.76 DAO (0.55) AOC3ALDH1A1HSD17B10AHRKIF11
SCHEMBL4071480 0.76 DAO (0.55) AOC3ALDH1A1HSD17B10AHRKIF11
SCHEMBL29683700 0.74 PARP1 (0.61) PARP1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL64307 0.74 PARP1 (0.61) PARP1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL29409549 0.74 PARP1 (0.61) PARP1ALDH1A1HSD17B10KDM4EMEN1

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 AOC3 376/4885PARP1 1932/4885ALDH1A1 657/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 AOC3 376/4885PARP1 1932/4885ALDH1A1 657/4885

“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.