Demeclocycline

Demeclocycline

SCHEMBL5503953

CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(O)C3CC12

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Demeclocycline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.71
KMT2A Q03164 10/20 0.71
TDP1 Q9NUW8 9/20 0.71
KDM4E B2RXH2 6/20 0.71
USP2 O75604 5/20 0.71
HSD17B10 Q99714 3/20 0.71
LMNA P02545 3/20 0.71
CYP2C9 P11712 1/20 0.71
CASP7 P55210 1/20 0.71
NR1I2 O75469 1/20 0.71
FTO Q9C0B1 1/20 0.71
MAPT P10636 6/20 0.70
GAA P10253 3/20 0.70
POLB P06746 3/20 0.70
ALDH1A1 P00352 3/20 0.70
HTT P42858 1/20 0.70
ESR2 Q92731 1/20 0.70
HIF1A Q16665 2/20 0.51
PLA2G1B P04054 1/20 0.51
THRB P10828 1/20 0.51

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
Demeclocycline SCHEMBL20716691 1.00 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL13085469 1.00 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL20952687 1.00 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL3252 1.00 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL3253 1.00 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL2636809 1.00 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL29355123 1.00 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL29487284 0.99 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL6549174 0.99 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL41287 0.99 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395189-A1 SUBSTITUTED TETRACYCLINE COMPOUNDS PARATEK PHARMACEUTICALS, INC. 2021-12-23 US disclosed
US-20190040001-A1 METHODS OF USING SUBSTITUTED TETRACYCLINE COMPOUNDS TO MODULATE RNA PARATEK PHARMACEUTICALS, INC. 2019-02-07 US disclosed
US-20170283368-A1 METHODS FOR SYNTHESIZING SUBSTITUTED TETRACYCLINE COMPOUNDS PARATEK PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-20170283368-A1 METHODS FOR SYNTHESIZING SUBSTITUTED TETRACYCLINE COMPOUNDS PARATEK PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-9562003-B2 Methods of using substituted tetracycline compounds to modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
US-9562003-B2 Methods of using substituted tetracycline compounds to modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
US-9533943-B2 Substituted tetracycline compounds PARATEK PHARMACEUTICALS, INC. (US) 2017-01-03 US disclosed
US-9522872-B2 Methods for synthesizing substituted tetracycline compounds PARATEK PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-9522872-B2 Methods for synthesizing substituted tetracycline compounds PARATEK PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-9481639-B2 Substituted tetracycline compounds for treatment of inflammatory skin disorders PARATEK PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20080003208-A1 Creatine-ligand compounds and methods of use thereof AVICENA FROUP, INC. (US) 2008-01-03 US disclosed
US-20070292403-A1 Methods of treating a neurological disorder with creatine monohydrate AVICENA GROUP, INC. (US) 2007-12-20 US disclosed
US-20070292403-A1 Methods of treating a neurological disorder with creatine monohydrate AVICENA GROUP, INC. (US) 2007-12-20 US disclosed
US-20070155708-A1 e.g. 7-(4-fluorophenyl) sancycline; for treating tetracycline responsive states; antibiotic resistance; rickettsiae: pneumococci and Salmonella TRUSTEES OF TUFTS COLLEGE (US) 2007-07-05 US disclosed
US-20070155708-A1 e.g. 7-(4-fluorophenyl) sancycline; for treating tetracycline responsive states; antibiotic resistance; rickettsiae: pneumococci and Salmonella TRUSTEES OF TUFTS COLLEGE (US) 2007-07-05 US disclosed
WO-2006078925-A2 A TETRACYCLINE METAL COMPLEX IN A SOLID DOSAGE FORM WARNER CHILCOTT COMPANY, INC. (US) 2006-07-27 WO disclosed
US-20030092684-A1 Compositions and methods for treating hemorrhagic virus infections and other disorders ANTIBODY SYSTEMS, INC. 2003-05-15 US disclosed
US-20020077276-A1 Compositions and methods for treating hemorrhagic virus infections and other disorders ANTIBODY SYSTEMS, INC. 2002-06-20 US disclosed
US-4684728-A Solubilizing biologically active compounds with reactive hydrogen atoms BAYER AKTIENGESELLSCHAFT (DE) 1987-08-04 US disclosed
EP-0017772-B1 METHOD OF IMPROVING THE SOLUBILITY OF BIOLOGICALLY ACTIVE AGENTS IN WATER AND IN LOWER ALIPHATIC ALCOHOLS, AND COMPOUNDS HAVING AN IMPROVED SOLUBILITY BAYER AG (DE) 1982-07-28 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 (8 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-20070155708-A1 e.g. 7-(4-fluorophenyl) sancycline; for treating tetracycline responsive states; antibiotic resistance; rickettsiae: pneumococci and Salmonella RAB7A, RPS7, SHPRH MEN1 2339/4885KMT2A 4633/4885TDP1 3513/4885
US-20020077276-A1 Compositions and methods for treating hemorrhagic virus infections and other disorders IL1R1, TNF, IL1A MEN1 2311/4885KMT2A 3996/4885TDP1 1636/4885
US-20190040001-A1 METHODS OF USING SUBSTITUTED TETRACYCLINE COMPOUNDS TO MODULATE RNA NSUN3, NSUN2, RNMT MEN1 4065/4885KMT2A 634/4885TDP1 999/4885
US-20030092684-A1 Compositions and methods for treating hemorrhagic virus infections and other disorders CCL11, SSB, TNF MEN1 2687/4885KMT2A 3218/4885TDP1 1126/4885
US-20210395189-A1 SUBSTITUTED TETRACYCLINE COMPOUNDS TET1, TET3, MYC MEN1 1281/4885KMT2A 857/4885TDP1 2522/4885
US-20070292403-A1 Methods of treating a neurological disorder with creatine monohydrate CKMT1A; CKMT1B, HTT, NLN MEN1 3422/4885KMT2A 478/4885TDP1 469/4885
US-20080003208-A1 Creatine-ligand compounds and methods of use thereof CKMT1A; CKMT1B, TARDBP, SLC7A11 MEN1 4797/4885KMT2A 1522/4885TDP1 556/4885
US-20170283368-A1 METHODS FOR SYNTHESIZING SUBSTITUTED TETRACYCLINE COMPOUNDS TET3, TET1, DHFR MEN1 2384/4885KMT2A 1153/4885TDP1 1297/4885

“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.