SCHEMBL4417364

SCHEMBL4417364

Nc1cc2c(ccc3sc(O)cc32)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
BACE1 P56817 1/20 0.36
PIM1 P11309 1/20 0.32
MAP2K2 P36507 1/20 0.32
CDK8 P49336 1/20 0.32
MAP4K2 Q12851 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA2 P00918 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
SCHEMBL4424668 0.86 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTHPGDCA2
SCHEMBL4420659 0.86 BACE1 (0.43) ALDH1A1BACE1PIM1MAP2K2CDK8
SCHEMBL17934683 0.81 BACE1 (0.41) ALDH1A1BACE1PIM1MAP2K2CDK8
SCHEMBL5039572 0.77 ALDH1A1 (0.34) ALDH1A1ALOX15BACE1
SCHEMBL4424072 0.75 BCHE (0.32) BACE1PIM1MAP2K2CDK8MAP4K2
SCHEMBL4423416 0.74 ALDH1A1 (0.42) ALDH1A1ALOX15
SCHEMBL4421348 0.74 ALDH1A1 (0.36) ALDH1A1ALOX15PIM1MAPTHPGD
SCHEMBL4423383 0.72 ALDH1A1 (0.41) ALDH1A1ALOX15MAPTHPGD
SCHEMBL4429242 0.72 MAPT (0.37) ALDH1A1BACE1PIM1MAP2K2CDK8
SCHEMBL28995640 0.72 ALDH1A1 (0.50) ALDH1A1ALOX15MAPTHPGDRAB9A

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 657/4885ALOX15 935/4885BACE1 3534/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885ALOX15 935/4885BACE1 3534/4885

“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.