SCHEMBL4420664

SCHEMBL4420664

Nc1cc2c(ccc3sccc32)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
DYRK1A Q13627 2/20 0.35
GFER P55789 1/20 0.32
MAPK1 P28482 1/20 0.32
NQO1 P15559 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL4420022 0.79 MAPT (0.48) MAPTKMT2AMEN1GAANPC1
SCHEMBL4418399 0.78 CYP1A2 (0.44) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL4426247 0.74 MAPT (0.37) MAPTKMT2AMEN1GAANPC1
SCHEMBL5039787 0.74
SCHEMBL29352476 0.72 KDM4E (0.45) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2498909 0.72 KDM4E (0.45) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL4428329 0.68 MAPT (0.41) MAPTKMT2AMEN1GAANPC1
SCHEMBL12278092 0.67 KDM4E (0.42) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL29733485 0.67 KDM4E (0.42) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL20182388 0.67 KDM4E (0.42) MAPTGAAKDM4EALDH1A1HPGD

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 MAPT 446/4885KMT2A 1797/4885MEN1 4835/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAPT 446/4885KMT2A 1797/4885MEN1 4835/4885

“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.