SCHEMBL3011561

SCHEMBL3011561

Nc1c(I)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
XDH P47989 1/20 0.41
PDE7A Q13946 5/20 0.41
PDE7B Q9NP56 1/20 0.41
VCAM1 P19320 1/20 0.40
LMNA P02545 2/20 0.39
PARP1 P09874 1/20 0.39
CTSB P07858 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2912091 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPK1PDE7A
SCHEMBL11749582 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMAPK1XDH
SCHEMBL204939 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRMAPK1PDE7A
SCHEMBL8903476 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRMAPK1PDE7A
SCHEMBL202693 0.78 ALDH1A1 (0.63) ALDH1A1CYP3A4TSHRMAPK1PDE7A
SCHEMBL222175 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRMAPK1XDH
SCHEMBL7032612 0.78 ALDH1A1 (0.63) ALDH1A1CYP3A4TSHRMAPK1XDH
SCHEMBL20535873 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRMAPK1PDE7A
SCHEMBL4695676 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRMAPK1PDE7A
SCHEMBL4931946 0.77 CCR6 (0.43) ALDH1A1CYP3A4TSHRMAPK1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143752-A Aminoquinoline derivative, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-12-17 CN disclosed
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP disclosed
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 US disclosed
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP disclosed
US-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2013-09-12 US disclosed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
WO-1996036588-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED AROMATIC AMINO COMPOUNDS NOVARTIS AG (CH) 1996-11-21 WO disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-05-07 US disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 WO disclosed
US-5270309-A Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders MERCK SHARP & DOHME LIMITED (GB) 1993-12-14 US disclosed
EP-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP disclosed
EP-0303387-A1 Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1989-02-15 EP disclosed
US-4053527-A REACTING HALONITROANILINES WITH ALCOHOLS AND NITROSATING AGENTS ION BASF AKTIENGESELLSCHAFT (DT) 1977-10-11 US 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-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 ALDH1A1 1971/4885CYP3A4 1179/4885TSHR 3810/4885
US-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF ALDH1A1 3181/4885CYP3A4 2591/4885TSHR 2517/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF ALDH1A1 3023/4885CYP3A4 2124/4885TSHR 2627/4885

“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.