SCHEMBL558123

SCHEMBL558123

COc1ccc2ncc(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.56
KDM4E B2RXH2 5/20 0.53
CYP1A2 P05177 6/20 0.50
CYP2E1 P05181 6/20 0.50
CYP3A4 P08684 6/20 0.50
CYP2C8 P10632 6/20 0.50
CYP2D6 P10635 6/20 0.50
CYP2C9 P11712 6/20 0.50
CYP2B6 P20813 6/20 0.50
CYP2C19 P33261 6/20 0.50
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48

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
SCHEMBL30637066 1.00 MMP12 (0.56) MMP12KDM4ECYP1A2CYP2E1CYP3A4
SCHEMBL1374700 0.87 MMP12 (0.47) MMP12KDM4ECYP1A2CYP2E1CYP3A4
SCHEMBL558709 0.87 MAPKAPK2 (0.58) MMP12KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL19094349 0.80 MMP12 (0.56) MMP12KDM4ECYP1A2CYP2E1CYP3A4
SCHEMBL12178714 0.80 JAK2 (0.46) CYP3A4ALDH1A1MAPKAPK2RPS6KA3CSNK2A1
SCHEMBL19093969 0.80 RUNX1 (0.50) KDM4EALDH1A1RUNX1MAPKAPK2RPS6KA3
SCHEMBL15595099 0.80 ATP4A (0.47) KDM4ECYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL2619124 0.77 MAPKAPK2 (0.50) CYP1A2ALDH1A1HPGDNPC1HSD17B10
SCHEMBL9702909 0.77 SLC2A1 (0.55) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL28301102 0.76 PDGFRB (0.46) KDM4ECYP1A2CYP2E1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-06-07 US disclosed
US-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-06-07 US disclosed
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION 2020-04-30 US disclosed
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION 2020-04-30 US disclosed
EP-3612513-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF Ohio State Innovation Foundation (US) 2020-02-26 EP disclosed
WO-2018195098-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2018-10-25 WO disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
EP-2344485-B1 OXAZOLIDINYL ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2017-03-22 EP disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2009001126-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBATERIAL AGENTS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
WO-2008071981-A1 PIPERIDINES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 (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-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof TOP2A, TOP1, TOP2B MMP12 1298/4885KDM4E 3359/4885CYP1A2 412/4885
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF TOP2A, TOP1, TOP2B MMP12 1298/4885KDM4E 3359/4885CYP1A2 412/4885
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 MMP12 397/4885KDM4E 2901/4885CYP1A2 1342/4885

“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.