SCHEMBL700166

SCHEMBL700166

CCOc1ccc(CC(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.61
ALDH1A1 P00352 1/20 0.56
NQO1 P15559 1/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
CNR1 P21554 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL31215186 0.87 LMNA (0.50) PARP10LMNATDP1ADRB2ADRB1
SCHEMBL31215188 0.87 LMNA (0.50) PARP10LMNATDP1ADRB2ADRB1
SCHEMBL29639820 0.85 LMNA (0.58) ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL21700175 0.85 KDM4E (0.66) ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL11201567 0.83 NPSR1 (0.59) ALDH1A1TDP1KDM4E
SCHEMBL31215187 0.83 KDM4E (0.51) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL7601684 0.82 CA2 (0.55) PARP10LMNATDP1ADRB2ADRB1
SCHEMBL503308 0.82 PLA2G4B (0.58) PARP10ALDH1A1NQO1TDP1CA2
SCHEMBL2628188 0.82 POLB (0.59) PARP10ALDH1A1NQO1LMNATDP1
SCHEMBL22282965 0.81 PARP10 (0.58) PARP10ALDH1A1NQO1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
CN-1250607-C Method for anionic polymerization of lactames ATOFINA (FR) 2006-04-12 CN claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-1191050-B1 Anionic polymerization process of lactams ARKEMA (FR) 2005-01-26 EP claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-1165661-B1 METHOD FOR ANIONIC POLYMERIZATION OF LACTAMES ATOFINA (FR) 2004-02-04 EP claimed
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
US-6579965-B2 Process for the anionic polymerization of lactams ATOFINA (FR) 2003-06-17 US claimed
US-20020161167-A1 Process for the anionic polymerization of lactams ATOFINA (FR) 2002-10-31 US claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed
CN-1351623-A Method for anionic polymerization of lactames ATOFINA (FR) 2002-05-29 CN claimed
EP-1191050-A1 Anionic polymerization process of lactams Atofina (FR) 2002-03-27 EP claimed
EP-1165661-A1 METHOD FOR ANIONIC POLYMERIZATION OF LACTAMES Atofina (FR) 2002-01-02 EP claimed
WO-2000058387-A1 METHOD FOR ANIONIC POLYMERIZATION OF LACTAMES ATOFINA (FR) 2000-10-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 PARP10 809/4885ALDH1A1 2168/4885NQO1 2153/4885

“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.