SCHEMBL2247994

SCHEMBL2247994

CC1Cc2ccc[c]c2O1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
PARP1 P09874 3/20 0.39
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
HTR1A P08908 3/20 0.31
KCNJ1 P48048 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
SCHEMBL3487104 1.00 MAOA (0.41) MAOAMAOBPARP1TDP1SMN1; SMN2
SCHEMBL5541188 0.81 CA1 (0.35)
SCHEMBL5913497 0.81 MAOA (0.33) MAOAMAOBPARP1
SCHEMBL11017349 0.74
SCHEMBL3258105 0.71 GRM2 (0.38)
SCHEMBL10901572 0.70
SCHEMBL5913501 0.70 POLB (0.33)
SCHEMBL20482181 0.69 BRD4 (0.41) MAOAMAOBTDP1SMN1; SMN2BRD4
SCHEMBL2283159 0.68 TDP1 (0.33) MAOAMAOBPARP1TDP1SMN1; SMN2
SCHEMBL8471197 0.67 BRD4 (0.50) MAOAMAOBPARP1TDP1BRD4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US claimed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US claimed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 US claimed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
US-4122204-A MITICIDES, INSECTICIDES UNION CARBIDE CORPORATION (US) 1978-10-24 US claimed
US-20140162906-A1 Pesticide Biomarker NAGY JON OWEN (US) 2014-06-12 US disclosed
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2262774-A2 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP disclosed
US-20100041077-A1 PESTICIDE BIOMARKER ATERIS TECHNOLOGIES, LLC 2010-02-18 US disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US disclosed
EP-0906014-B1 Shaped bodies which release agrochemicals BAYER AG (DE) 2002-03-27 EP disclosed
EP-0906014-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES BAYER AG (DE) 1999-04-07 EP disclosed
EP-0861024-A1 POLYSACCHARIDE ETHER ESTERS WHICH RELEASE ACTIVE INGREDIENTS BAYER AG (DE) 1998-09-02 EP disclosed
WO-1997046094-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
WO-1997017847-A1 POLYSACCHARIDE ETHER ESTERS WHICH RELEASE ACTIVE INGREDIENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-22 WO disclosed
US-4180672-A 2-Organothio-2-cyclopentenones, organothio-cyclopentanes derived therefrom TEIJIN LIMITED (JP) 1979-12-25 US disclosed
US-4122204-A MITICIDES, INSECTICIDES UNION CARBIDE CORPORATION (US) 1978-10-24 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B MAOA 421/4885MAOB 238/4885PARP1 1017/4885
US-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E MAOA 482/4885MAOB 377/4885PARP1 411/4885

“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.