SCHEMBL4164833

SCHEMBL4164833

NC(=O)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.61
NOS1 P29475 1/20 0.59
CA2 P00918 2/20 0.59
HIF1A Q16665 3/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ABL1 P00519 1/20 0.54
KCNH2 Q12809 1/20 0.54
PARP1 P09874 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
OPRK1 P41145 1/20 0.52
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49

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
SCHEMBL29864585 1.00 NCF1 (0.61) NCF1NOS1CA2HIF1ACYP2D6
SCHEMBL27789191 0.88 CA2 (0.68) NCF1NOS1CA2HIF1ACYP2D6
Trifluoroacetic Acid SCHEMBL4966526 0.88 ABL1 (0.53) NCF1NOS1CA2HIF1ACYP2D6
SCHEMBL3829994 0.87 HIF1A (0.73) NCF1NOS1CA2HIF1ACYP2D6
SCHEMBL29865404 0.87 HIF1A (0.73) NCF1NOS1CA2HIF1ACYP2D6
SCHEMBL7692768 0.86 CYP2D6 (0.68) HIF1ACYP2D6CYP2C9ALDH1A1OPRK1
SCHEMBL1370757 0.86 CYP2D6 (0.72) HIF1ACYP2D6CYP2C9PARP1ALDH1A1
SCHEMBL30577950 0.86 CYP2D6 (0.72) HIF1ACYP2D6CYP2C9PARP1ALDH1A1
SCHEMBL6583930 0.86 ABL1 (0.60) NCF1NOS1CA2HIF1ACYP2D6
Hydrochloric Acid SCHEMBL9837720 0.85 HIF1A (0.71) NCF1NOS1CA2HIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP claimed
CN-105658625-B Indole amide compounds as inhibitors of cellular necrosis 株式会社LG化学 2019-05-03 CN claimed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US claimed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US claimed
EP-3037412-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US claimed
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP disclosed
CN-105658625-B Indole amide compounds as inhibitors of cellular necrosis 株式会社LG化学 2019-05-03 CN disclosed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US disclosed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US disclosed
EP-3037412-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP disclosed
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
CN-101151268-A Hydrazinocarbonyl-thieno[2,3-c]pyrazoles, preparation method, compositions containing same and use AVENTIS PHARMA SA (FR) 2008-03-26 CN disclosed
EP-1866288-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS Merck Patent GmbH (DE) 2007-12-19 EP disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 WO disclosed
WO-2006105865-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS MERCK PATENT GMBH (DE) 2006-10-12 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-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF NCF1 79/4885NOS1 35/4885CA2 598/4885
US-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 NCF1 1283/4885NOS1 2445/4885CA2 4738/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 NCF1 3755/4885NOS1 4516/4885CA2 1007/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 NCF1 3902/4885NOS1 1889/4885CA2 1531/4885

“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.