SCHEMBL2633343

SCHEMBL2633343

COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.77
NPC1 O15118 10/20 0.75
RAB9A P51151 9/20 0.75
MAPT P10636 9/20 0.75
KMT2A Q03164 7/20 0.75
MEN1 O00255 6/20 0.75
HTT P42858 1/20 0.75
SMN1; SMN2 Q16637 4/20 0.73
TP53 P04637 1/20 0.73
ALOX15 P16050 1/20 0.73
ALDH1A1 P00352 4/20 0.71
LMNA P02545 2/20 0.67
HSP90AA1 P07900 1/20 0.66
PKM P14618 1/20 0.66
PAX8 Q06710 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
POLB P06746 2/20 0.66
MITF O75030 1/20 0.66
THRB P10828 1/20 0.65
GAA P10253 1/20 0.62

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
SCHEMBL2061754 1.00 ALOX5 (0.77) ALOX5NPC1RAB9AMAPTKMT2A
Hydrochloric Acid SCHEMBL9423776 0.99 ALOX5 (0.75) ALOX5NPC1RAB9AMAPTKMT2A
SCHEMBL5501099 0.93 ALOX5 (0.68) ALOX5NPC1RAB9AMAPTKMT2A
SCHEMBL23898948 0.87 KMT2A (0.83) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8572381 0.87 KMT2A (0.83) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL9134339 0.87 KMT2A (0.83) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL4248472 0.87 KMT2A (0.70) ALOX5NPC1RAB9AMAPTKMT2A
SCHEMBL16587382 0.87 MAPT (0.75) ALOX5MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8274340 0.87 KMT2A (0.81) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL7872779 0.87 KMT2A (0.81) NPC1RAB9AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 US disclosed
EP-4168441-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM Dana-Farber Cancer Institute, Inc. (US) 2023-04-26 EP disclosed
EP-4169916-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN disclosed
WO-2021257650-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-12-23 WO disclosed
WO-2021256902-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF 한국과학기술연구원 2021-12-23 WO disclosed
CN-108084096-A 2- phenyl pyrimidine classes compound, preparation method and medical usage 中国药科大学 2018-05-29 CN disclosed
US-9833458-B2 Thioflavin derivatives for use in the antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-05 US disclosed
US-9808541-B2 Thioflavin derivatives for use in antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition University of Pittsburgh—Of the Commonwealth System of Higher Eduation (US) 2017-11-07 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
EP-0721336-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-07-17 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed
WO-1995006469-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-03-09 WO disclosed
US-5278180-A 4,5-bis(aryl) 4H-1,2,4-triazoles derivatives and analgesic use ROUSSEL UCLAF (FR) 1994-01-11 US disclosed
EP-0176444-B1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 4H-1,2,4-TRIAZOLE, TRIAZOLES SO OBTAINED, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-02-22 EP disclosed
EP-0176444-A1 Process for the preparation of derivatives of 4H-1,2,4-triazole, triazoles so obtained, their use as medicaments, and pharmaceutical compositons containing them ROUSSEL-UCLAF (FR) 1986-04-02 EP 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 (2 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-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 ALOX5 4073/4885NPC1 2328/4885RAB9A 1162/4885
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM SNCA, ADRM1, UBE3C ALOX5 4768/4885NPC1 1139/4885RAB9A 340/4885

“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.