SCHEMBL4429358

SCHEMBL4429358

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
GPR84 Q9NQS5 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TERT O14746 1/20 0.33
BRAF P15056 1/20 0.33
TP53 P04637 1/20 0.32
CASP1 P29466 1/20 0.32
AOC3 Q16853 1/20 0.31
GAA P10253 1/20 0.30
CASP6 P55212 1/20 0.30
EIF2AK2 P19525 1/20 0.30

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
SCHEMBL5040623 0.83 GPR84 (0.39) MAP2K7ALDH1A1GPR84CYP2D6CYP2C19
SCHEMBL4420494 0.81 KDM4E (0.34) MAP2K7ALDH1A1KDM4EHPGDCYP2D6
SCHEMBL4423127 0.80 AR (0.35) ALDH1A1KDM4EHSD17B10TP53AOC3
SCHEMBL4429246 0.79 EHMT2 (0.39) MAP2K7ALDH1A1GPR84CYP2D6CYP2C19
SCHEMBL4420685 0.74 AOC3 (0.48) ALDH1A1KDM4EHPGDHSD17B10AOC3
SCHEMBL4423278 0.72 MAP2K7 (0.39) MAP2K7ALDH1A1KDM4EHSD17B10
SCHEMBL4430325 0.71 CYP2D6 (0.37) MAP2K7ALDH1A1KDM4EGPR84CYP2D6
SCHEMBL6028664 0.71 CYP2D6 (0.37) MAP2K7ALDH1A1KDM4EGPR84CYP2D6
SCHEMBL3873170 0.70 KIF11 (0.44) MAP2K7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5154565 0.70 CYP2D6 (0.37) ALDH1A1KDM4EGPR84CYP2D6CYP2C19

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 MAP2K7 2589/4885ALDH1A1 657/4885KDM4E 1418/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAP2K7 2589/4885ALDH1A1 657/4885KDM4E 1418/4885

“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.