SCHEMBL4427675

SCHEMBL4427675

Nc1sc2ccc3sc(N4CCCC4)cc3c2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
TDO2 P48775 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP2K7 O14733 1/20 0.31
MEN1 O00255 1/20 0.30
S100B P04271 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4426166 0.78 HRH4 (0.32) ALDH1A1POLBHRH4
SCHEMBL4420579 0.75 ALDH1A1 (0.35) ALDH1A1POLBLMNAHTTKDM4E
SCHEMBL12279012 0.74 ALDH1A1 (0.36) ALDH1A1POLBLMNAHTTKDM4E
SCHEMBL4428240 0.70 ALDH1A1 (0.35) ALDH1A1LMNAHTTNPC1RAB9A
SCHEMBL5044363 0.64 ALDH1A1 (0.35) ALDH1A1POLBLMNAHTTKDM4E
SCHEMBL13561805 0.63 PRKDC (0.35) ALDH1A1POLBLMNAKDM4ENPC1
SCHEMBL5036412 0.60 GAA (0.32) ALDH1A1LMNAHTTMEN1S100B
SCHEMBL4426888 0.60 ALDH1A1 (0.35) ALDH1A1POLBLMNAHTTKDM4E
SCHEMBL5040204 0.60 GAA (0.32) ALDH1A1LMNAHTTMEN1S100B
SCHEMBL12278266 0.59 TERT (0.35) ALDH1A1HTTNPC1RAB9ASMN1; SMN2

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 IDO1 2690/4885ALDH1A1 657/4885POLB 874/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 IDO1 2690/4885ALDH1A1 657/4885POLB 874/4885

“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.