SCHEMBL3877116

SCHEMBL3877116

Nc1c(O)ccc2c1sc1c(N)c(O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
IDO1 P14902 2/20 0.34
HDAC3 O15379 1/20 0.34
EP300 Q09472 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3876656 0.82 ALOX5 (0.51) HSD17B10GAAIDO1HDAC3EP300
SCHEMBL6854234 0.75 IDO1 (0.42) HSD17B10GAAGFERIDO1HDAC3
SCHEMBL3885289 0.74 ATP1A1 (0.38) HSD17B10GAAIDO1ALDH1A1MAPK1
SCHEMBL3882651 0.74 MEN1 (0.32) MEN1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL9797256 0.73 IDO1 (0.40) HSD17B10GAAGFERIDO1HDAC3
SCHEMBL9008984 0.73 IDO1 (0.40) HSD17B10GAAGFERIDO1HDAC3
SCHEMBL7855237 0.71 ALOX15 (0.42) HSD17B10IDO1HDAC3EP300KAT2B
SCHEMBL29689091 0.71 ALOX15 (0.42) HSD17B10IDO1HDAC3EP300KAT2B
SCHEMBL19443980 0.70 ESR1 (0.38) IDO1ALOX5
SCHEMBL3875160 0.70 HDAC3 (0.34) HSD17B10GAAIDO1HDAC3EP300

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 HSD17B10 529/4885GAA 3637/4885GFER 470/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 HSD17B10 529/4885GAA 3637/4885GFER 470/4885

“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.