SCHEMBL508983

SCHEMBL508983

Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCN5A Q14524 5/20 0.42
CYP1A2 P05177 3/20 0.42
F2RL3 Q96RI0 1/20 0.41
TDP2 O95551 1/20 0.39
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ACP1 P24666 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
KCNH2 Q12809 1/20 0.38
GCGR P47871 2/20 0.38
BRD4 O60885 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL27875557 0.89 MAPT (0.44) MAPTMAPK1KDM4EGAARECQL
SCHEMBL2422616 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAARECQL
SCHEMBL2424704 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAARECQL
SCHEMBL21377196 0.86 MAPT (0.48) MAPTMAPK1KDM4EGAARECQL
SCHEMBL508428 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAARECQL
SCHEMBL5549267 0.85 MAPT (0.44) MAPTMAPK1KDM4EGAARECQL
SCHEMBL2424125 0.84 MAPT (0.44) MAPTMAPK1KDM4EGAARECQL
SCHEMBL2425009 0.83 MAPT (0.43) MAPTMAPK1KDM4EGAARECQL
SCHEMBL28605125 0.82 MAPT (0.41) MAPTMAPK1KDM4EGAARECQL
SCHEMBL2430111 0.82 GCGR (0.47) MAPTMAPK1KDM4EGAAKDM5A

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 4 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-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 1533/4885MAPK1 3399/4885KDM4E 3095/4885

“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.