SCHEMBL509170

SCHEMBL509170

CCOC(=O)c1ccn(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
ELANE P08246 2/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX2 P34913 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL15169106 0.85 ALDH1A1 (0.47) MAPTALDH1A1KDM4EPOLBNPC1
SCHEMBL15754826 0.84 NPC1 (0.60) MAPTTHRBALDH1A1KDM4ETP53
SCHEMBL14152567 0.84 NPC1 (0.43) MAPTTHRBALDH1A1KDM4ETP53
SCHEMBL27656182 0.82 MARS1 (0.45) MAPTALDH1A1TP53POLBNPC1
SCHEMBL5962973 0.82 NPC1 (0.50) MAPTTHRBALDH1A1KDM4ETP53
SCHEMBL15754911 0.81 NPC1 (0.60) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL19834374 0.81 NPC1 (0.46) MAPTTHRBALDH1A1KDM4ETP53
SCHEMBL14710238 0.81 CA12 (0.48) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL9681520 0.81 NPC1 (0.58) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL12571512 0.80 MAPK1 (0.50) MAPTTHRBALDH1A1KDM4ETP53

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
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
WO-2015179697-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
WO-2015179697-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
EP-2547678-A1 ANTI-INFECTIVE COMPOUNDS Institut Pasteur Korea (KR) 2013-01-23 EP disclosed
WO-2012143796-A2 ANTI-INFLAMMATION COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2012-10-26 WO disclosed
EP-2459571-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY Global Alliance For Tb Drug Development (US) 2012-06-06 EP disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 WO disclosed
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 WO disclosed
WO-2011014774-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ELANE, MMP8, NISCH MAPT 4098/4885THRB 2537/4885ALDH1A1 1874/4885
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 MAPT 1533/4885THRB 2327/4885ALDH1A1 1870/4885
US-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 MAPT 2660/4885THRB 2747/4885ALDH1A1 3932/4885

“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.