SCHEMBL477790

SCHEMBL477790

O=C(Cl)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.71
MEN1 O00255 7/20 0.71
TGM2 P21980 1/20 0.61
NPC1 O15118 3/20 0.59
MAPT P10636 3/20 0.59
RAB9A P51151 2/20 0.59
MAPK1 P28482 2/20 0.59
POLB P06746 2/20 0.59
GAA P10253 2/20 0.59
NAMPT P43490 1/20 0.59
MITF O75030 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MYOC Q99972 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 4/20 0.57
HTT P42858 1/20 0.55

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
SCHEMBL6302157 0.83 MEN1 (1.00) KMT2AMEN1TGM2NPC1MAPT
SCHEMBL1177730 0.83 MEN1 (1.00) KMT2AMEN1TGM2NPC1MAPT
SCHEMBL152811 0.82 KMT2A (0.74) KMT2AMEN1TGM2NPC1MAPT
SCHEMBL5817153 0.82 KMT2A (0.74) KMT2AMEN1TGM2NPC1MAPT
SCHEMBL6631700 0.80 KMT2A (0.71) KMT2AMEN1TGM2NPC1MAPT
SCHEMBL8848976 0.80 KMT2A (0.71) KMT2AMEN1TGM2NPC1MAPT
SCHEMBL1102071 0.80 KMT2A (0.71) KMT2AMEN1TGM2NPC1MAPT
SCHEMBL11154886 0.80 NPC1 (0.48) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL9018657 0.80 MEN1 (0.71) KMT2AMEN1TGM2NPC1MAPT
SCHEMBL4588400 0.80 KMT2A (0.71) KMT2AMEN1TGM2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF ENHANCEDBIO, INC. (KR) 2020-10-29 US disclosed
WO-2019243825-A1 SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed
CN-104995184-B As the one inducer of 2,3 xylylenimine 1 of BTK kinase inhibitors and containing such pharmaceutical compositions 晶体基因技术株式会社 2018-01-02 CN disclosed
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
EP-2630141-A1 CATHEPSIN S INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2013-08-28 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US disclosed
EP-2219629-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 US disclosed
WO-2009048936-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-16 WO disclosed
EP-1183246-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-03-06 EP disclosed
WO-2000071527-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-11-30 WO disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed
US-4467092-A Carbamates and thiocarbamates of 3-hydroxy-4-pyridyloxyphenoxy alkanoic acid esters ZOECON CORPORATION (US) 1984-08-21 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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 KMT2A 2386/4885MEN1 2567/4885TGM2 4357/4885
US-20120095020-A1 Cathepsin S Inhibitor Compounds CTSS, CTSZ, CTSV KMT2A 3912/4885MEN1 2189/4885TGM2 1638/4885
US-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF NEDD4, PFDN1, PF4 KMT2A 3515/4885MEN1 1975/4885TGM2 4111/4885

“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.