Demeclocycline

Demeclocycline

SCHEMBL20952687

CN(C)C1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12

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 SCHEMBL3252 1.00 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL3253 1.00 MEN1 (0.71) MEN1KMT2ATDP1KDM4EUSP2
Demeclocycline SCHEMBL5503953 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11213533-B2 Combinations comprising dibromopropamidine or diminazene and a tetracycline anti-bacterial agent UNION therapeutics A/S (DK) 2022-01-04 US disclosed
US-20190201422-A1 COMBINATIONS COMPRISING DIBROMOPROPAMIDINE OR DIMINAZENE AND A TETRACYCLINE ANTI-BACTERIAL AGENT UNION therapeutics A/S (DK) 2019-07-04 US disclosed
US-10273468-B2 Inhibition and diagnostics of emerging tetracycline resistance enzymes WASHINGTON UNIVERSITY (US) 2019-04-30 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 (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-20190201422-A1 COMBINATIONS COMPRISING DIBROMOPROPAMIDINE OR DIMINAZENE AND A TETRACYCLINE ANTI-BACTERIAL AGENT TREH, DDT, DPEP1 MEN1 700/4885KMT2A 2350/4885TDP1 1255/4885
US-11213533-B2 Combinations comprising dibromopropamidine or diminazene and a tetracycline anti-bacterial agent TREH, DDT, DPEP1 MEN1 700/4885KMT2A 2350/4885TDP1 1255/4885
US-10273468-B2 Inhibition and diagnostics of emerging tetracycline resistance enzymes BLVRB, FLAD1, DHFR MEN1 4691/4885KMT2A 1622/4885TDP1 618/4885

“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.