SCHEMBL508310

SCHEMBL508310

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
NPC1 O15118 3/20 0.57
LMNA P02545 3/20 0.57
PTPN1 P18031 1/20 0.56
ALDH1A1 P00352 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.50
APP P05067 1/20 0.49
EPHX2 P34913 2/20 0.48
GCGR P47871 1/20 0.48
FAAH O00519 1/20 0.48
RAB9A P51151 2/20 0.48
CYP2D6 P10635 1/20 0.48
HTT P42858 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
GPR183 P32249 1/20 0.47
EGFR P00533 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL508309 1.00 MAPT (0.57) MAPTNPC1LMNAPTPN1ALDH1A1
SCHEMBL514352 0.90 CA1 (0.64) MAPTNPC1LMNACA1CA2
SCHEMBL14930553 0.85 CA1 (0.58) MAPTNPC1CA1CA2MRGPRX4
SCHEMBL71402 0.84 PTPN1 (0.73) MAPTNPC1LMNAPTPN1ALDH1A1
SCHEMBL5379059 0.84 PTPN1 (0.73) MAPTNPC1LMNAPTPN1ALDH1A1
SCHEMBL31301140 0.84 PTPN1 (0.73) MAPTNPC1LMNAPTPN1ALDH1A1
SCHEMBL71401 0.84 PTPN1 (0.73) MAPTNPC1LMNAPTPN1ALDH1A1
SCHEMBL2627847 0.84 PTPN1 (0.73) MAPTNPC1LMNAPTPN1ALDH1A1
SCHEMBL5089889 0.83 ERN1 (0.45) MAPTNPC1LMNAPTPN1MRGPRX4
SCHEMBL5089885 0.83 ERN1 (0.45) MAPTNPC1LMNAPTPN1MRGPRX4

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 MAPT 1533/4885NPC1 1935/4885LMNA 4033/4885

“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.