SCHEMBL4416709

SCHEMBL4416709

Nc1cc2c(ccc3[nH]c(N4CCCC4)cc32)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 3/20 0.37
LMNA P02545 2/20 0.36
AR P10275 1/20 0.35
KIF11 P52732 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
JAK2 O60674 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
S1PR2 O95136 1/20 0.33
MAPT P10636 1/20 0.33
STAT6 P42226 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TERT O14746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 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
SCHEMBL5036775 0.82 LMNA (0.40) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4423402 0.81 MAP2K7 (0.34) MAP2K7LMNAARKIF11SMN1; SMN2
SCHEMBL4423271 0.79 ALDH1A1 (0.34) MAP2K7LMNAARKIF11SMN1; SMN2
SCHEMBL4424687 0.77 EHMT2 (0.41) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4420685 0.77 AOC3 (0.48) ARKIF11ALDH1A1KMT2AMEN1
SCHEMBL4420744 0.70 MAP2K7 (0.40) MAP2K7LMNAKIF11SMN1; SMN2JAK2
SCHEMBL4424850 0.69 LMNA (0.36) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3879192 0.68 ALDH1A1 (0.50) LMNAARKIF11ALDH1A1KMT2A
SCHEMBL5174042 0.67 ALDH1A1 (0.39) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5040152 0.67 LMNA (0.37) LMNASMN1; SMN2ALDH1A1KMT2AMEN1

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 2589/4885LMNA 394/4885AR 879/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAP2K7 2589/4885LMNA 394/4885AR 879/4885

“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.