Minocycline

Minocycline

SCHEMBL12532767

CN(C)c1ccc(O)c2c1CC1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Minocycline. 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
▸ TDP1 Q9NUW8 9/20 0.70
▸ KDM4E B2RXH2 6/20 0.70
▸ USP2 O75604 4/20 0.70
▸ HIF1A Q16665 3/20 0.70
▸ PTGS1 P23219 2/20 0.70
▸ GRK6 P43250 1/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ ALB P02768 1/20 0.70
▸ MAPT P10636 6/20 0.69
▸ HPGD P15428 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ RECQL P46063 2/20 0.69
▸ HSD17B10 Q99714 4/20 0.61
▸ THPO P40225 1/20 0.61
▸ KMT2A Q03164 7/20 0.60
▸ LMNA P02545 3/20 0.60
▸ BLM P54132 1/20 0.60
▸ NR1I2 O75469 3/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ CHRM1 P11229 2/20 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
Minocycline SCHEMBL9340562 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1
Minocycline SCHEMBL13520108 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1
Minocycline SCHEMBL1820770 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1
Minocycline SCHEMBL13520109 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1
Minocycline SCHEMBL1917128 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1
Minocycline SCHEMBL13520116 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1
Minocycline SCHEMBL22171064 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1
Minocycline SCHEMBL20716523 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1
Minocycline SCHEMBL21931671 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1
Minocycline SCHEMBL11911315 1.00 TDP1 (0.70) TDP1KDM4EUSP2HIF1APTGS1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020255983-A1 MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mPTP)-OPENING INHIBITOR, NOVEL COMPOUND EXHIBITING mPTP-OPENING INHIBITORY ACTIVITY, AND USE THEREFOR 国立研究開発法人理化学研究所 2020-12-24 — — WO disclosed
WO-2020079570-A1 COMPOSITIONS AND METHODS FOR SUPPRESSING AND/OR TREATING A GROWTH RELATED DISEASE AND/OR A CLINICAL CONDITION THEREOF Ck Biotechnology Co. (KR) 2020-04-23 — — WO disclosed
US-9896422-B2 Tetracycline derivatives with reduced antibiotic activity and neuroprotective benefits Neumedics (US) 2018-02-20 — — US disclosed
US-9896422-B2 Tetracycline derivatives with reduced antibiotic activity and neuroprotective benefits Neumedics (US) 2018-02-20 — — US disclosed
US-20170144979-A1 TETRACYCLINE DERIVATIVES WITH REDUCED ANTIBIOTIC ACTIVITY AND NEUROPROTECTIVE BENEFITS Neumedics (US) 2017-05-25 — — US disclosed
US-20170144979-A1 TETRACYCLINE DERIVATIVES WITH REDUCED ANTIBIOTIC ACTIVITY AND NEUROPROTECTIVE BENEFITS Neumedics (US) 2017-05-25 — — US disclosed
US-9573912-B2 Tetracycline derivatives with reduced antibiotic activity and neuroprotective benefits Neumedics (US) 2017-02-21 — — US disclosed
US-20160009668-A1 TETRACYCLINE DERIVATIVES WITH REDUCED ANTIBIOTIC ACTIVITY AND NEUROPROTECTIVE BENEFITS Neumedics (US) 2016-01-14 — — US disclosed
US-9168265-B2 Tetracycline derivatives with reduced antibiotic activity and neuroprotective benefits Neumedics 2015-10-27 — — US disclosed
US-9168265-B2 Tetracycline derivatives with reduced antibiotic activity and neuroprotective benefits Neumedics 2015-10-27 — — US disclosed
US-8338477-B2 Tetracycline derivatives with reduced antibiotic activity and neuroprotective benefits Neumedics (US) 2012-12-25 — — US disclosed
US-8338477-B2 Tetracycline derivatives with reduced antibiotic activity and neuroprotective benefits Neumedics (US) 2012-12-25 — — US disclosed
EP-2327687-A2 Methods of preparing substituted tetracyclines with transition metal-based chemistries TRUSTEES OF TUFTS COLLEGE (US) 2011-06-01 — — EP disclosed
US-20100009981-A1 Tetracycline Derivatives with Reduced Antibiotic Activity and Neuroprotective Benefits Neumedics (US) 2010-01-14 — — US disclosed
US-20100009981-A1 Tetracycline Derivatives with Reduced Antibiotic Activity and Neuroprotective Benefits Neumedics (US) 2010-01-14 — — US disclosed
US-20070049562-A1 Tigecycline and methods of preparation WYETH 2007-03-01 — — US disclosed
US-20070049562-A1 Tigecycline and methods of preparation WYETH 2007-03-01 — — 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 (4 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-20100009981-A1 Tetracycline Derivatives with Reduced Antibiotic Activity and Neuroprotective Benefits DCX, CASP3, BCL2 TDP1 610/4885KDM4E 1640/4885USP2 2712/4885
US-20070049562-A1 Tigecycline and methods of preparation TET3, TET1, TYMS TDP1 802/4885KDM4E 1132/4885USP2 2552/4885
US-20160009668-A1 TETRACYCLINE DERIVATIVES WITH REDUCED ANTIBIOTIC ACTIVITY AND NEUROPROTECTIVE BENEFITS DCX, CASP3, BCL2 TDP1 610/4885KDM4E 1640/4885USP2 2712/4885
US-20170144979-A1 TETRACYCLINE DERIVATIVES WITH REDUCED ANTIBIOTIC ACTIVITY AND NEUROPROTECTIVE BENEFITS DCX, CASP3, BCL2 TDP1 610/4885KDM4E 1640/4885USP2 2712/4885

“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.

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