SCHEMBL4499094

SCHEMBL4499094

COc1cccc(CNC(=O)c2ccc3cc(O)ccc3c2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.74
HPGD P15428 2/20 0.66
LMNA P02545 1/20 0.66
PRKACA P17612 2/20 0.62
PRKX P51817 2/20 0.62
PRKCQ Q04759 2/20 0.62
ROCK1 Q13464 2/20 0.62
ROCK2 O75116 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
MAOB P27338 1/20 0.61
AURKA O14965 1/20 0.60
NAMPT P43490 1/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56

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
SCHEMBL3035661 0.89 MMP13 (0.76) MMP13HPGDLMNAPRKACAPRKX
SCHEMBL3038715 0.86 MMP13 (0.72) MMP13HPGDLMNAPRKACAPRKX
SCHEMBL3454388 0.85 MMP13 (0.70) MMP13HPGDLMNAPRKACAPRKX
SCHEMBL5332068 0.85 MMP13 (1.00) MMP13HPGDLMNAPRKACAPRKX
SCHEMBL31061610 0.85 MMP13 (1.00) MMP13HPGDLMNAPRKACAPRKX
SCHEMBL9416645 0.85 MMP13 (0.94) MMP13HPGDLMNAPRKACAPRKX
SCHEMBL3816981 0.82 MMP13 (0.77) MMP13HPGDLMNAPRKACAPRKX
SCHEMBL13940425 0.82 MMP13 (0.90) MMP13HPGDLMNAPRKACAPRKX
SCHEMBL7134254 0.81 MMP13 (0.86) MMP13HPGDLMNAPRKACAPRKX
SCHEMBL6195092 0.81 MMP13 (0.74) MMP13HPGDLMNAPRKACAPRKX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1960727-B Naphthalene derivatives useful as histamine-3-receptor ligands HOFFMANN LA ROCHE 2011-02-16 CN disclosed
US-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed
US-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed
US-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed
EP-1755593-B1 NAPHTHALENE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1755593-B1 NAPHTHALENE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-20070265254-A1 Naphthaline derivatives as H3 inverse agonists MCARTHUR SILVIA G 2007-11-15 US disclosed
US-20070265254-A1 Naphthaline derivatives as H3 inverse agonists MCARTHUR SILVIA G 2007-11-15 US disclosed
US-20070265254-A1 Naphthaline derivatives as H3 inverse agonists MCARTHUR SILVIA G 2007-11-15 US disclosed
US-7259158-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-7259158-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-7259158-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
CN-1960727-A Naphthalene derivatives useful as histamine-3-receptor ligands HOFFMANN LA ROCHE (CH) 2007-05-09 CN disclosed
EP-1755593-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HOFFMAN-LA ROCHE INC. 2006-01-12 US disclosed
WO-2005117865-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 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-20070265254-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 MMP13 4373/4885HPGD 356/4885LMNA 1696/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 MMP13 4373/4885HPGD 356/4885LMNA 1696/4885

“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.