Minocycline

Minocycline

SCHEMBL5175147

CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl.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 8/20 0.70
▸ KDM4E B2RXH2 6/20 0.70
▸ MAPT P10636 6/20 0.70
▸ USP2 O75604 5/20 0.70
▸ HPGD P15428 2/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ RECQL P46063 1/20 0.70
▸ HIF1A Q16665 3/20 0.68
▸ PTGS1 P23219 2/20 0.68
▸ GRK6 P43250 1/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ ALB P02768 1/20 0.68
▸ KMT2A Q03164 7/20 0.61
▸ LMNA P02545 3/20 0.61
▸ BLM P54132 1/20 0.61
▸ HSD17B10 Q99714 4/20 0.59
▸ THPO P40225 1/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NR1I2 O75469 2/20 0.47

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 SCHEMBL5175145 1.00 TDP1 (0.70) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL3969889 1.00 TDP1 (0.70) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL3969884 1.00 TDP1 (0.70) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL10477625 1.00 TDP1 (0.70) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL10477623 1.00 TDP1 (0.70) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL2537 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL1446032 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL2539 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL21524892 0.99 TDP1 (0.69) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL2865953 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102617396-B Minocycline hydrochloride hydrate crystal form and synthesis method thereof UNIV ZHEJIANG 2015-06-24 — — CN claimed
US-8642089-B2 Melt extrusion of salts of active ingredients EVONIK ROEHM GMBH (DE) 2014-02-04 — — US claimed
CN-101693669-B minocycline hydrochloride hydrate crystal form and preparation method thereof UNIV ZHEJIANG 2012-08-08 — — CN claimed
CN-102617396-A Minocycline hydrochloride hydrate crystal form and synthesis method thereof UNIV ZHEJIANG 2012-08-01 — — CN claimed
CN-101693669-A Minocycline hydrochloride hydrate crystal form and preparation method thereof UNIV ZHEJIANG 2010-04-14 — — CN claimed
EP-1478344-B1 MELT EXTRUSION CONSISTING OF SALTS OF ACTIVE INGREDIENTS ROEHM GMBH (DE) 2007-05-23 — — EP claimed
US-20040253314-A1 Melt extrusion of salts of active ingredients ROEHM GMBH (DE) 2004-12-16 — — US claimed
CN-107708665-B Pharmaceutical tetracycline compositions for dermatological use 贝尔生物制药有限公司 2022-07-22 — — CN disclosed
US-10881672-B2 Pharmaceutical tetracycline composition for dermatological use BioPharmX, Inc. (US) 2021-01-05 — — US disclosed
EP-3273940-B1 PHARMACEUTICAL TETRACYCLINE COMPOSITION FOR DERMATOLOGICAL USE BIOPHARMX INC (US) 2020-12-16 — — EP disclosed
US-20200046739-A1 PHARMACEUTICAL TETRACYCLINE COMPOSITION FOR DERMATOLOGICAL USE BioPharmX, Inc, 2020-02-13 — — US disclosed
US-10391108-B2 Pharmaceutical tetracycline composition for dermatological use BioPharmX, Inc. (US) 2019-08-27 — — US disclosed
US-20180185394-A1 PHARMACEUTICAL TETRACYCLINE COMPOSITION FOR DERMATOLOGICAL USE LEO PHARMA A/S (DK) 2018-07-05 — — US disclosed
CN-101693669-B minocycline hydrochloride hydrate crystal form and preparation method thereof UNIV ZHEJIANG 2012-08-08 — — CN disclosed
CN-101693669-B minocycline hydrochloride hydrate crystal form and preparation method thereof UNIV ZHEJIANG 2012-08-08 — — CN disclosed
CN-102617396-A Minocycline hydrochloride hydrate crystal form and synthesis method thereof UNIV ZHEJIANG 2012-08-01 — — CN disclosed
CN-102617396-A Minocycline hydrochloride hydrate crystal form and synthesis method thereof UNIV ZHEJIANG 2012-08-01 — — CN disclosed
CN-101693669-A Minocycline hydrochloride hydrate crystal form and preparation method thereof UNIV ZHEJIANG 2010-04-14 — — CN disclosed
CN-101693669-A Minocycline hydrochloride hydrate crystal form and preparation method thereof UNIV ZHEJIANG 2010-04-14 — — CN disclosed
US-20040253314-A1 Melt extrusion of salts of active ingredients ROEHM GMBH (DE) 2004-12-16 — — US disclosed
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