SCHEMBL697780

SCHEMBL697780

COC(=O)c1cccc2nc(-c3ccccc3)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TNKS O95271 3/20 0.54
ERCC1 P07992 1/20 0.51
FEN1 P39748 1/20 0.51
ERCC4 Q92889 1/20 0.51
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL10212480 0.97 KDM4E (0.55) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29087625 0.89 KDM4E (0.52) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8832123 0.85 KDM4E (0.49) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6948237 0.85 TSHR (0.50) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5886053 0.85 TNKS (0.43) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15958955 0.84 PARP1 (0.47) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL696548 0.84 DHODH (0.56) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL25433684 0.81 SCN1A (0.43) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5970052 0.81 TSHR (0.55) KDM4ESMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL3579908 0.81 PARP1 (0.61) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104356170-B Ruthenium iridium heteronuclear ring metal compound, and preparation method and application thereof 洛阳师范学院 2017-02-15 CN disclosed
CN-105392498-A Anti-malignant tumor agent composition PHARMA CO LTD J 2016-03-09 CN disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
CN-1293042-C Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2007-01-03 CN disclosed
CN-1630632-A Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2005-06-22 CN disclosed
CN-1159007-C Benzimidazole compounds ť��˹����ѧ����Ͷ�����޹�˾ 2004-07-28 CN disclosed
EP-0841924-B1 BENZIMIDAZOLE COMPOUNDS UNIV NEWCASTLE VENTURES LTD (GB) 2002-10-02 EP disclosed
US-6310082-B1 PHARMACEUTICAL COMPOSITION COMPRISING EFFECTIVE POLY(ADP-RIBOSE)POLYMERASE ENZYME INHIBITING AMOUNT OF BENZIMIDAZOLE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT AND/OR PRO-DRUG FORM THEREOF, WITH ACCEPTABLE CARRIER NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-30 US disclosed
US-6100283-A PRODRUG PHOSPHATE DERIVATIVE FOR POLY (ADP-RIBOSE) POLYMERASE ENZYME INHIBITOR FOR ADMINISTERING IN CONJUNCTION WITH ANTITUMOR DRUG OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-08-08 US disclosed
CN-1195985-A Benzimidazole compounds UNIV NEWCASTLE VENTURES LTD (GB) 1998-10-14 CN disclosed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP disclosed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 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 (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-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KDM4E 1931/4885SMN1; SMN2 1895/4885NPC1 187/4885

“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.