SCHEMBL4428240

SCHEMBL4428240

Nc1cc2c(ccc3sc(N4CCCC4)cc32)o1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
AGTR1 P30556 1/20 0.35
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PRKDC P78527 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
S100B P04271 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IP6K1 Q92551 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
SCHEMBL4420579 0.80 ALDH1A1 (0.35) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL5040204 0.80 GAA (0.32) ALDH1A1GAAL3MBTL1MEN1MAPT
SCHEMBL12279012 0.79 ALDH1A1 (0.36) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL4423430 0.76 PRKDC (0.39) ALDH1A1AGTR1GAAL3MBTL1PRKDC
SCHEMBL4426247 0.76 MAPT (0.37) ALDH1A1GAANPC1RAB9AMEN1
SCHEMBL4421348 0.73 ALDH1A1 (0.36) ALDH1A1GAANPC1RAB9AMEN1
SCHEMBL4423271 0.72 ALDH1A1 (0.34) ALDH1A1AGTR1GAAL3MBTL1PRKDC
SCHEMBL4420022 0.71 MAPT (0.48) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL4427675 0.70 IDO1 (0.33) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL4420656 0.67 GAA (0.34) GAAMEN1MAPTKMT2A

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 ALDH1A1 657/4885AGTR1 4560/4885GAA 3660/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885AGTR1 4560/4885GAA 3660/4885

“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.