SCHEMBL2432874

SCHEMBL2432874

CCCNCN1COc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ESR2 Q92731 1/20 0.44
LTA4H P09960 1/20 0.40
HPGD P15428 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 5/20 0.37
KMT2A Q03164 3/20 0.34
HTR1A P08908 2/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9134742 0.78 CYP2C9 (0.40) HPGDCYP2C9ALOX15CYP2C19HIF1A
SCHEMBL5559760 0.76 TSHR (0.58) POLBHPGDTSHRKMT2ALMNA
SCHEMBL9244465 0.74 KDM4E (0.41) CYP2C19KMT2AHTR1ALMNAMEN1
SCHEMBL11995109 0.74 ABCG2 (0.42) POLBHPGDCYP2C9ALOX15CYP2C19
SCHEMBL10490505 0.73 KDM4E (0.43) CYP2C19KMT2AHTR1ALMNAMEN1
SCHEMBL28018780 0.73 KDM4E (0.43) CYP2C19KMT2AHTR1ALMNAMEN1
SCHEMBL6008054 0.73 HPGD (0.38) POLBHPGDCYP2C9ALOX15CYP2C19
SCHEMBL6007994 0.73 HPGD (0.38) POLBHPGDCYP2C9ALOX15CYP2C19
SCHEMBL28018743 0.73 KDM4E (0.43) CYP2C19KMT2AHTR1ALMNAMEN1
SCHEMBL28018744 0.73 KDM4E (0.43) CYP2C19KMT2AHTR1ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157085-B1 Oxazole, derivatives of tetracyclines WYETH LLC (US) 2011-09-21 EP disclosed
EP-2157085-A1 Oxazole, derivatives of tetracyclines Wyeth a Corporation of the State of Delaware (US) 2010-02-24 EP disclosed
EP-1692117-B1 OXAZOLE DERIVATIVES OF TETRACYCLINES WYETH CORP (US) 2009-09-30 EP disclosed
US-20080177080-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES WYETH (US) 2008-07-24 US disclosed
US-7365087-B2 Oxazole derivatives of tetracyclines WYETH (US) 2008-04-29 US disclosed
US-20080064667-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES WYETH (US) 2008-03-13 US disclosed
US-7176225-B2 Oxazole derivatives of tetracyclines WYETH (US) 2007-02-13 US disclosed
EP-1692117-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES Wyeth (US) 2006-08-23 EP disclosed
US-20050153944-A1 For example, (6aR,7aS,8S,11aS)-5,8-bis(dimethylamino)-2-(2,2-diphenylvinyl)-9,11a,12-trihydroxy-11,13-dioxo-6,6a,7,7a,8,11,11a,13-octahydrotetraceno[2,1-d][1,3]oxazole-10-carboxamide; useful against antibiotic resistant organisms WYETH (US) 2005-07-14 US disclosed
WO-2005056538-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES WYETH (US) 2005-06-23 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-20080064667-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES OXA1L, CXXC5, TET3 POLB 2396/4885ESR2 2023/4885LTA4H 3578/4885
US-20050153944-A1 For example, (6aR,7aS,8S,11aS)-5,8-bis(dimethylamino)-2-(2,2-diphenylvinyl)-9,11a,12-trihydroxy-11,13-dioxo-6,6a,7,7a,8,11,11a,13-octahydrotetraceno[2,1-d][1,3]oxazole-10-carboxamide; useful against antibiotic resistant organisms DHRS9, SPOUT1, DAO POLB 1807/4885ESR2 2418/4885LTA4H 1915/4885
US-20080177080-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES OXA1L, CXXC5, TET3 POLB 2396/4885ESR2 2023/4885LTA4H 3578/4885

“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.