SCHEMBL4823176

SCHEMBL4823176

COC(=O)c1ccnc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
KDM6B O15054 1/20 0.54
KDM5C P41229 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
KDM2A Q9Y2K7 1/20 0.54
KDM3A Q9Y4C1 1/20 0.54
ALOX15 P16050 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
JMJD6 Q6NYC1 1/20 0.48
VCAM1 P19320 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL1880283 0.81 ALDH1A1 (0.50) L3MBTL1MAPTKMT2AMEN1NPC1
SCHEMBL11899688 0.80 MAPT (0.36) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL11621309 0.80 KDM5C (0.53) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL11616143 0.79 HDAC6 (0.46) KDM4EHTT
SCHEMBL11898493 0.79 MAPT (0.35) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL11618571 0.78 ALDH1A1 (0.42) KDM4EMAPTKMT2AHTTPOLB
SCHEMBL1681636 0.78 ALDH1A1 (0.50) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL11620111 0.78 TSHR (0.50) KDM4EKDM5CL3MBTL1MAPTKMT2A
SCHEMBL31036600 0.78 TSHR (0.50) KDM4EKDM5CL3MBTL1MAPTKMT2A
SCHEMBL11619281 0.78 ALDH1A1 (0.51) KDM4EMAPTKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160114060-A1 PSMA-BINDING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-28 US disclosed
US-20110142760-A1 PSMA-BINDING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 US disclosed
US-7429594-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-30 US disclosed
EP-1656366-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
EP-1448564-B1 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-04-19 EP disclosed
US-7026326-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-04-11 US disclosed
US-6921762-B2 Substituted indolizine-like compounds and methods of use AMGEN INC. (US) 2005-07-26 US disclosed
WO-2005019202-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2005-03-03 WO disclosed
US-20050043301-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-24 US disclosed
US-20050038010-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-02-17 US disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
US-4098893-A PYRIDINE DERIVATIVES AND THEIR USE AS ANTICOCCIDIAL AGENTS SANKYO COMPANY LIMITED (JP) 1978-07-04 US disclosed
US-4054663-A POULTRY FEEDS SANKYO COMPANY LIMITED (JA) 1977-10-18 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 (5 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-20110142760-A1 PSMA-BINDING AGENTS AND USES THEREOF KLK3, FOLH1, DNPEP KDM4E 177/4885KDM6B 223/4885KDM5C 138/4885
US-20050043301-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 KDM4E 4282/4885KDM6B 4410/4885KDM5C 3922/4885
US-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B KDM4E 3964/4885KDM6B 1938/4885KDM5C 2345/4885
US-20160114060-A1 PSMA-BINDING AGENTS AND USES THEREOF KLK3, FOLH1, DNPEP KDM4E 177/4885KDM6B 223/4885KDM5C 138/4885
US-20050038010-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 KDM4E 4282/4885KDM6B 4410/4885KDM5C 3922/4885

“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.