SCHEMBL4428271

SCHEMBL4428271

Nc1cc2ccc3ccsc3c2s1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
BACE1 P56817 1/20 0.32
DYRK1A Q13627 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
SCHEMBL17934679 0.86 CYP2A6 (0.31) CYP2A6
SCHEMBL4420026 0.84 BACE1 (0.39) BACE1
SCHEMBL793638 0.76 CYP2A6 (0.46) CYP2A6
SCHEMBL4416728 0.75 CYP2A6 (0.33) CYP2A6
SCHEMBL4419842 0.75 CYP2A6 (0.33) CYP2A6
SCHEMBL17934681 0.73 BACE1 (0.35) BACE1
SCHEMBL18965754 0.72 BACE1 (0.36) BACE1
SCHEMBL18909174 0.71
SCHEMBL20245977 0.71 HPRT1 (0.34) BACE1
SCHEMBL4420535 0.71 BACE1 (0.47) CYP2A6BACE1

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 18 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-3423455-B1 SEMICONDUCTING POLYMER CLAP CO LTD (KR) 2021-06-23 EP disclosed
EP-3551635-B1 THIENO-INDENO-MONOMERS AND POLYMERS BASF SE (DE) 2021-04-28 EP disclosed
EP-3166949-B1 THIENOTHIOPHENE-ISOINDIGO CLAP CO LTD (KR) 2021-02-17 EP disclosed
EP-3464415-B1 SEMICONDUCTORS BASF SE (DE) 2020-08-19 EP disclosed
EP-3386989-B1 NAPHTHOINDACENODITHIOPHENES AND POLYMERS BASF SE (DE) 2019-10-23 EP disclosed
WO-2017202635-A1 SEMICONDUCTORS BASF SE (DE) 2017-11-30 WO disclosed
WO-2017089952-A1 DEGRADABLE CONJUGATED POLYMERS The Board of Trustees of the Leland Stanford Junior University Office of the General Counsel (US) 2017-06-01 WO disclosed
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
EP-1716123-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-02 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
WO-2005075437-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO 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 CYP2A6 405/4885BACE1 3534/4885DYRK1A 2218/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP2A6 405/4885BACE1 3534/4885DYRK1A 2218/4885

“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.