SCHEMBL508027

SCHEMBL508027

OCc1ccc(-c2ccc(F)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.56
KDM1A O60341 1/20 0.53
BRS3 P32247 3/20 0.49
KCNH2 Q12809 2/20 0.49
NPC1 O15118 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GRM5 P41594 1/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
AURKA O14965 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT3 P36888 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
SCHEMBL2216313 0.89 FYN (0.56) FYNKDM1ABRS3KCNH2NPC1
SCHEMBL32670328 0.81 CYP11B1 (0.47) FYNBRS3KCNH2NPC1RXFP1
SCHEMBL507838 0.81 CYP11B1 (0.47) FYNBRS3KCNH2NPC1RXFP1
SCHEMBL3823318 0.81 RAB9A (0.53) BRS3KCNH2NPC1RXFP1CYP11B1
SCHEMBL30083483 0.81 LOXL2 (0.54) BRS3KCNH2NPC1RXFP1CYP11B1
SCHEMBL17610081 0.81 CYP11B1 (0.47) FYNBRS3KCNH2NPC1RXFP1
SCHEMBL16675751 0.80 FYN (0.52) FYNGRM5CDK8
SCHEMBL3511950 0.80 NPC1 (0.51) BRS3KCNH2NPC1RXFP1CYP11B1
SCHEMBL19407055 0.79 SMN1; SMN2 (0.56) BRS3KCNH2NPC1RXFP1CYP11B1
SCHEMBL3822972 0.79 NPC1 (0.46) FYNBRS3KCNH2NPC1RXFP1

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 6 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
WO-2012133607-A1 PYRAZOLE COMPOUND アステラス製薬株式会社 (JP) 2012-10-04 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-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 FYN 2929/4885KDM1A 3156/4885BRS3 4259/4885

“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.