SCHEMBL508864

SCHEMBL508864

COC(=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.57
EPHX2 P34913 2/20 0.55
NR1H4 Q96RI1 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
MAPT P10636 3/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
VNN1 O95497 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
GRIN2B Q13224 1/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL514352 0.90 CA1 (0.64) MRGPRX4EPHX2NR1H4CA1CA2
SCHEMBL22721357 0.86 MRGPRX4 (0.71) MRGPRX4MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL14930553 0.85 CA1 (0.58) MRGPRX4EPHX2CA1CA2MAPT
SCHEMBL69454 0.84 LOXL2 (0.70) CA1CA2MAPTLOXL2CA12
SCHEMBL2648713 0.84 HDAC1 (0.68) MRGPRX4EPHX2NR1H4CA1CA2
SCHEMBL9234845 0.83 CA1 (0.60) CA1CA2MAPTLOXL2CA12
SCHEMBL8993003 0.83 CA1 (0.78) CA1CA2MAPTLOXL2CA12
SCHEMBL9607170 0.83 RAB9A (0.51) EPHX2NR1H4MAPTSMN1; SMN2HDAC3
SCHEMBL692912 0.82 SRD5A2 (0.59) CA1CA2MAPTLOXL2CA12
SCHEMBL508310 0.81 MAPT (0.57) MRGPRX4EPHX2CA1CA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 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
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-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 (1 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-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 MRGPRX4 654/4885EPHX2 2277/4885NR1H4 2425/4885

“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.