SCHEMBL1251999

SCHEMBL1251999

CNC(C)c1cc2cccc(C)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.45
▸ DDO Q99489 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NSD2 O96028 3/20 0.41
▸ HRH4 Q9H3N8 5/20 0.40
▸ HSD17B10 Q99714 2/20 0.37
▸ SMYD3 Q9H7B4 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ SETD2 Q9BYW2 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 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
SCHEMBL16380981 0.82 DAO (0.50) DAODDOKDM4EALDH1A1NSD2
SCHEMBL1252002 0.75 DAO (0.44) DAODDOKDM4EALDH1A1NSD2
SCHEMBL417541 0.74 ALOX5 (0.49) KDM4EALDH1A1LMNAMAPT
SCHEMBL2074077 0.71 HTR2A (0.51) DAODDONSD2LMNA
SCHEMBL30712834 0.70 DAO (0.56) DAODDOKDM4EALDH1A1NSD2
SCHEMBL1093711 0.70 DAO (0.56) DAODDOKDM4EALDH1A1NSD2
SCHEMBL12778103 0.69 DAO (0.55) DAODDOKDM4EALDH1A1NSD2
SCHEMBL30963688 0.67 DAO (0.53) DAODDOKDM4EALDH1A1NSD2
SCHEMBL30939499 0.67 DAO (0.53) DAODDOKDM4EALDH1A1NSD2
SCHEMBL9390780 0.67 DAO (0.53) DAODDOKDM4EALDH1A1NSD2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575951-B1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY DEBIOPHARM INT SA (CH) 2014-06-25 — — EP disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 — — US disclosed
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy BERMAN JUDD 2011-05-26 — — US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 — — US disclosed
US-7790709-B2 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 — — US disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 — — EP disclosed
US-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-08-17 — — US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 — — US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 — — EP disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 — — EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 — — WO disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 — — 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-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AADAC, AZI2, DCXR DAO 4/4885DDO 15/4885KDM4E 310/4885
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy NQO1, AADAC, SDHA DAO 300/4885DDO 60/4885KDM4E 3723/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF DAO 3530/4885DDO 3847/4885KDM4E 4139/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF DAO 3530/4885DDO 3847/4885KDM4E 4139/4885

“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.

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