SCHEMBL840495

SCHEMBL840495

[CH2]Cc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.67
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
KDM4E B2RXH2 3/20 0.65
POLB P06746 3/20 0.65
SIRT1 Q96EB6 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 1/20 0.62
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
NR1H4 Q96RI1 1/20 0.59
PRMT1 Q99873 1/20 0.59
FFAR1 O14842 1/20 0.59
PGR P06401 1/20 0.59
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL5154816 0.87 PTPN1 (0.69) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL126415 0.86 PTPN1 (0.87) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL5400199 0.85 PTPN1 (0.67) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL94654 0.85 PTPN1 (0.71) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL14715824 0.84 NPC1 (0.88) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL18103163 0.84 NPC1 (0.88) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL1857575 0.84 PTPN1 (0.65) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL8143801 0.84 NR1H4 (0.82) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL13185636 0.84 NPC1 (0.68) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL19234542 0.84 SIRT1 (0.68) PTPN1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US claimed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
CN-101040053-B Process for producing optically active (S or R) -beta-amino acid and optically active (R or S) -beta-amino acid ester, and beta-amino acid 2-alkoxyethyl ester and optically active (S or R) -beta-amino acid 2-alkoxyethyl ester UBE INDUSTRIES 2013-04-24 CN disclosed
CN-102994606-A Process for production of optically active (S)- or (R)-beta-amino acids and optically active (R)- or (S)-beta -amino acid esters, and optically active (S)- or (R)-2-alkoxyethyl esters of beta-amino acids. UBE INDUSTRIES 2013-03-27 CN disclosed
CN-101248184-B Process for production of optically active (S or R)-a-amino acid or optically active (S or R)-a -amino acid ester UBE INDUSTRIES 2013-01-16 CN disclosed
US-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed
US-7915019-B2 Processes for preparing optically active (S or R)-β-amino acid and optically active (R or S)-β-amino acid ester, and β-amino acid 2-alkoxyethyl ester and optically active (S or R)-β amino acid 2-alkoxyethyl ester UBE INDUSTRIES, LTD. (JP) 2011-03-29 US disclosed
EP-1840218-B1 Process for production of optically active (S)- or (R)-beta-amino acids and optically active (R)- or (S)-beta -amino acid esters, and optically active (S)- or (R)-2-alkoxyethyl esters of beta-amino acids. UBE INDUSTRIES (JP) 2011-02-23 EP disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
CN-101040053-A Process for producing optically active (S or R) -beta-amino acid and optically active (R or S) -beta-amino acid ester, and beta-amino acid 2-alkoxyethyl ester and optically active (S or R) -beta-amino acid 2-alkoxyethyl ester UBE INDUSTRIES (JP) 2007-09-19 CN disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 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 (3 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 PTPN1 3685/4885NPC1 1932/4885RAB9A 1336/4885
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK PTPN1 4311/4885NPC1 3747/4885RAB9A 3771/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK PTPN1 4520/4885NPC1 3767/4885RAB9A 3706/4885

“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.