SCHEMBL1606232

SCHEMBL1606232

CCOC(=O)c1c(C)cc(CBr)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 2/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
HPGD P15428 2/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
USP2 O75604 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL10455858 0.86 CYP3A4 (0.59) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL28743341 0.83 CYP3A4 (0.50) CYP3A4SMN1; SMN2TDP1ALDH1A1CYP4F2
SCHEMBL13140800 0.80 CYP3A4 (0.61) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL571273 0.80 CYP3A4 (0.61) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL7592102 0.79 CA12 (0.58) CYP3A4SMN1; SMN2CYP4F2CYP4A11NR1H2
SCHEMBL2212198 0.79 CA12 (0.58) CYP3A4CYP4F2CYP4A11NR1H2NR1H3
SCHEMBL22032135 0.79 CYP2C9 (0.40) CYP3A4SMN1; SMN2TDP1CYP4F2CYP4A11
SCHEMBL12207101 0.79 CYP3A4 (0.82) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL28692452 0.79 CA12 (0.62) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL4643313 0.77 CYP3A4 (0.50) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP3A4 16/4885SMN1; SMN2 3700/4885TDP1 1924/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP3A4 16/4885SMN1; SMN2 3700/4885TDP1 1924/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP3A4 11/4885SMN1; SMN2 3520/4885TDP1 2272/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP3A4 11/4885SMN1; SMN2 3520/4885TDP1 2272/4885

“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.