SCHEMBL4416701

SCHEMBL4416701

Nc1cc2cc3[nH]c(N4CCCC4)cc3cc2s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
ALDH1A1 P00352 8/20 0.32
RAB9A P51151 7/20 0.32
NPC1 O15118 7/20 0.32
SMN1; SMN2 Q16637 6/20 0.32
MAPT P10636 3/20 0.32
ALOX15 P16050 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 2/20 0.32
PKM P14618 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
S100B P04271 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL5040152 0.79 LMNA (0.37) LMNAALDH1A1SMN1; SMN2MAPTALOX15
SCHEMBL4424687 0.79 EHMT2 (0.41) LMNAALDH1A1SMN1; SMN2MAPTALOX15
SCHEMBL4431189 0.75 EHMT2 (0.43) BACE1
SCHEMBL4423402 0.73 MAP2K7 (0.34) LMNAALDH1A1SMN1; SMN2MAPTALOX15
SCHEMBL4430558 0.72 ALDH1A1 (0.34) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4428302 0.70 BACE1 (0.50) ALDH1A1SMN1; SMN2TP53BACE1
SCHEMBL4419315 0.69 RAB9A (0.34) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5036775 0.66 LMNA (0.40) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5041424 0.66 ALDH1A1 (0.36) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8087823 0.65 HRH3 (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2HSD17B10

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 LMNA 394/4885ALDH1A1 657/4885RAB9A 4225/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 LMNA 394/4885ALDH1A1 657/4885RAB9A 4225/4885

“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.