SCHEMBL508718

SCHEMBL508718

OCc1ccn(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.44
GRIN1 Q05586 5/20 0.44
GRIN2B Q13224 5/20 0.44
NOTUM Q6P988 3/20 0.41
P2RX7 Q99572 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL12295637 0.86 RXRA (0.43) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL19471078 0.86 RXRA (0.43) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL508640 0.86 RXRA (0.43) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL28946384 0.84 RXRA (0.41) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL8087729 0.81 RXRA (0.40) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL19211427 0.79 NOTUM (0.67) RXRAGRIN1GRIN2BNOTUMP2RX7
SCHEMBL2215780 0.79 NOTUM (0.62) NOTUMPOLBMAPT
SCHEMBL19120213 0.78 RXRA (0.40) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL22897584 0.78 RXRA (0.40) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL31465996 0.78 HTT (0.47) RXRAGRIN1GRIN2BL3MBTL1POLB

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 19 patents. 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
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
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
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 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-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-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 (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-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ELANE, MMP8, NISCH RXRA 1765/4885GRIN1 4143/4885GRIN2B 4237/4885
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 RXRA 2473/4885GRIN1 3584/4885GRIN2B 3799/4885
US-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 RXRA 2055/4885GRIN1 4349/4885GRIN2B 4590/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 RXRA 484/4885GRIN1 266/4885GRIN2B 622/4885

“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.