SCHEMBL3881333

SCHEMBL3881333

Nc1ccc(N2CCCC2)c2sc3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 4/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 3/20 0.41
S100B P04271 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NCF1 P14598 1/20 0.38
APP P05067 2/20 0.38
AR P10275 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL3881164 0.88 KEAP1 (0.44) KEAP1ALDH1A1LMNAHTTGAA
SCHEMBL3882237 0.77 GPR3 (0.46) KEAP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL20887169 0.76 NOX1 (0.44) KEAP1ALDH1A1LMNAGAAMAPT
SCHEMBL10105292 0.72 KEAP1 (0.57) KEAP1ALDH1A1LMNAHTTGAA
SCHEMBL3886209 0.71 IDO1 (0.47) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL3876761 0.68 LMNA (0.45) KEAP1ALDH1A1LMNAHTTGAA
SCHEMBL3882353 0.68 ALDH1A1 (0.48) KEAP1ALDH1A1LMNAHTTGAA
SCHEMBL31160387 0.67 ALOX5 (0.46) KEAP1ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL3876524 0.66 IDO1 (0.48) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL3873227 0.66 IDO1 (0.41) ALDH1A1LMNAHTTGAAMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 KEAP1 192/4885ALDH1A1 660/4885LMNA 448/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KEAP1 192/4885ALDH1A1 660/4885LMNA 448/4885

“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.