SCHEMBL8265170

SCHEMBL8265170

COc1cc(COc2cccc(Br)n2)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.48
HTR7 P34969 1/20 0.48
ABCB1 P08183 3/20 0.44
APP P05067 1/20 0.41
PDE2A O00408 1/20 0.41
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38
ENPP2 Q13822 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL13618121 0.83 MAOB (0.46) MAOBABCB1APPPDE2AMAPT
SCHEMBL8264411 0.82 MAOB (0.44) MAOBABCB1APPPDE2AMAPT
SCHEMBL91372 0.81 MAOB (0.43) MAOBABCB1APPPDE2AMAPT
SCHEMBL78450 0.79 MAOB (0.43) MAOBABCB1APPPDE2AMAPT
SCHEMBL21580746 0.79 HTR7 (0.42) MAOBHTR7ABCB1MAPTSMN1; SMN2
SCHEMBL8262885 0.78 ENPP2 (0.47) MAOBABCB1APPPDE2AENPP2
SCHEMBL9598308 0.78 RAB9A (0.48) MAOBHTR7
SCHEMBL5183 0.77 HTR7 (0.51) MAOBHTR7MAPT
SCHEMBL29574709 0.77 HTR7 (0.51) MAOBHTR7MAPT
SCHEMBL25930635 0.76 MAOB (0.51) MAOBHTR7MAPTSMN1; SMN2AGXT

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
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE MAOB 624/4885HTR7 548/4885ABCB1 504/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC MAOB 63/4885HTR7 1671/4885ABCB1 398/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO MAOB 35/4885HTR7 1550/4885ABCB1 375/4885

“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.