SCHEMBL1605397

SCHEMBL1605397

Cc1c(-c2cccnc2)n(COCC(=O)O)c2ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.54
PTGES2 Q9H7Z7 3/20 0.45
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.43
MAOA P21397 1/20 0.43
TACR1 P25103 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.37
PTGES O14684 1/20 0.37
GRIK2 Q13002 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
SCHEMBL1605125 0.89 TBXAS1 (0.47) TBXAS1PTGES2CYP11B2CYP11B1MAOA
SCHEMBL1605070 0.88 GRIK2 (0.47) PTGES2PTGDR2HTTSMN1; SMN2PPARG
SCHEMBL1606069 0.85 TBXAS1 (0.46) TBXAS1PTGES2CYP11B2CYP11B1MAOA
SCHEMBL1606071 0.85 TBXAS1 (0.64) TBXAS1PTGES2CYP11B2CYP11B1MAOA
SCHEMBL28107220 0.85 TBXAS1 (0.49) TBXAS1PTGES2CYP11B2CYP11B1MAOA
SCHEMBL1605159 0.83 TBXAS1 (0.48) TBXAS1PTGES2CYP11B2CYP11B1MAOA
SCHEMBL1605764 0.82 TBXAS1 (0.51) TBXAS1PTGES2CYP11B2CYP11B1MAOA
SCHEMBL10451457 0.82 TBXAS1 (0.76) TBXAS1PTGES2CYP11B2CYP11B1MAOA
Hydrochloric Acid SCHEMBL11004741 0.81 TBXAS1 (0.75) TBXAS1PTGES2CYP11B2CYP11B1MAOA
SCHEMBL1606572 0.81 PTGES2 (0.52) TBXAS1PTGES2PPARGPTGES

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 24 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
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN 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

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 TBXAS1 1987/4885PTGES2 474/4885CYP11B2 13/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1987/4885PTGES2 474/4885CYP11B2 13/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1766/4885PTGES2 538/4885CYP11B2 12/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1766/4885PTGES2 538/4885CYP11B2 12/4885

“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.