SCHEMBL1366971

SCHEMBL1366971

O=c1cc(OCc2ccc(Br)cn2)cc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.52
ABL1 P00519 1/20 0.52
PPARG P37231 1/20 0.52
RIN1 Q13671 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
MCHR1 Q99705 15/20 0.41
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
SOD1 P00441 1/20 0.37

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
SCHEMBL94421 0.83 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL12289077 0.83 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL12950126 0.83 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94424 0.83 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL15238559 0.82 NSD2 (0.51) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1366575 0.80 MCHR1 (0.41) MCHR1
SCHEMBL4047944 0.80 NSD2 (0.49) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL153303 0.77 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL15781393 0.74 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL509662 0.72 KCNH2 (0.53) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822937-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH-RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-12-21 EP disclosed
EP-2822937-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH - RECEPTOR MODULATORS Boehringer Ingelheim International GmbH (DE) 2015-01-14 EP disclosed
US-8933079-B2 Pyridone and pyridazinone derivatives as anti-obesity agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-13 US disclosed
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
US-20130237515-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
WO-2013131935-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH - RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 WO disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
EP-2383259-A1 New pyridone derivatives with MCH antagonistic activity and medicaments comprising these compounds Boehringer Ingelheim International GmbH (DE) 2011-11-02 EP disclosed
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed
CN-101506195-A Novel pyridone derivatives having MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2009-08-12 CN disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 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 (3 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-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 NSD2 2365/4885ABL1 3230/4885PPARG 454/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 NSD2 2365/4885ABL1 3230/4885PPARG 454/4885
US-20130237515-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MCHR1, MCHR2, MTNR1B NSD2 3981/4885ABL1 2973/4885PPARG 1147/4885

“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.