SCHEMBL1605604

SCHEMBL1605604

Cc1c(-c2cccnc2)n(Cc2ccc(C(=O)O)cc2)c2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.48
PTGES2 Q9H7Z7 2/20 0.48
CYP11B2 P19099 2/20 0.47
CYP11B1 P15538 1/20 0.47
MAOA P21397 1/20 0.47
MAPK8 P45983 1/20 0.46
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
RHEB Q15382 2/20 0.43
PPARG P37231 2/20 0.42
THRB P10828 2/20 0.41
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1606572 0.92 PTGES2 (0.52) TBXAS1PTGES2MAPK8MKNK1MKNK2
SCHEMBL27810029 0.91 TBXAS1 (0.53) TBXAS1PTGES2CYP11B2CYP11B1MAOA
Hydrochloric Acid SCHEMBL11006604 0.91 PTGES2 (0.51) TBXAS1PTGES2MAPK8MKNK1MKNK2
SCHEMBL1604634 0.89 DRD2 (0.51) TBXAS1PTGES2CYP11B2CYP11B1MAOA
SCHEMBL1605952 0.89 CYP11B2 (0.50) TBXAS1PTGES2CYP11B2CYP11B1MKNK1
SCHEMBL11015008 0.88 TBXAS1 (0.62) TBXAS1CYP11B2MKNK1MKNK2PPARG
SCHEMBL27830502 0.83 TBXAS1 (0.53) TBXAS1PTGES2CYP11B2CYP11B1MAOA
SCHEMBL1604760 0.83 CCR2 (0.51) TBXAS1PTGES2PPARGPOLBTDP1
SCHEMBL1605597 0.83 PTGES2 (0.49) TBXAS1PTGES2CYP11B2PPARGKDM4E
Formic Acid Methyl Ester SCHEMBL28106959 0.83 CYP11B2 (0.47) TBXAS1PTGES2CYP11B2CYP11B1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US claimed
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
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN 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 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.