SCHEMBL1606027

SCHEMBL1606027

CSc1ccc(CO)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
AR P10275 1/20 0.36
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
KHK P50053 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPT P10636 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
SNCA P37840 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A3 Q01959 2/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL19254702 0.84 CYP2A6 (0.44) ALDH1A1KMT2AMEN1POLBSLC6A2
SCHEMBL7658751 0.82 KMT2A (0.36) ALDH1A1KMT2AMEN1POLBAR
SCHEMBL25929324 0.81 CNR1 (0.38) ALDH1A1KMT2AMEN1POLBAR
SCHEMBL6231117 0.78 HPGD (0.41) ALDH1A1KMT2AMEN1POLBAR
SCHEMBL2090992 0.77 ALDH1A1 (0.38) ALDH1A1SLC6A2SLC6A4MAPTSLC6A3
SCHEMBL8156844 0.77 MAOB (0.44) ARCYP11B1CYP11B2SNCAMAOB
SCHEMBL25929341 0.76 KCNJ1 (0.34) ALDH1A1KMT2AMEN1POLBFNTA
SCHEMBL6432564 0.76 TSHR (0.43) ALDH1A1ARCYP11B1CYP11B2SNCA
SCHEMBL16954607 0.73 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1POLBAR
SCHEMBL7087447 0.73 KMT2A (0.45) ALDH1A1KMT2AMEN1POLBAR

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 32 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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP 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
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 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
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 US disclosed
EP-1562902-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2005-08-17 EP disclosed
WO-2004043924-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2004-05-27 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 (5 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 ALDH1A1 93/4885KMT2A 4447/4885MEN1 1570/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 93/4885KMT2A 4447/4885MEN1 1570/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 110/4885KMT2A 4274/4885MEN1 1326/4885
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 ALDH1A1 1465/4885KMT2A 4487/4885MEN1 3423/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 110/4885KMT2A 4274/4885MEN1 1326/4885

“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.