SCHEMBL4518950

SCHEMBL4518950

Cc1cccc2oc(-c3cccc([N+](=O)[O-])c3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.57
NPC1 O15118 8/20 0.57
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ELANE P08246 1/20 0.52
LMNA P02545 1/20 0.51
CASP3 P42574 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PSMB8 P28062 1/20 0.50
GUSB P08236 1/20 0.48
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 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
SCHEMBL21777068 0.86 MMP2 (0.62) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL205819 0.82 TDP1 (0.55) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2688368 0.80 MEN1 (0.43) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL206911 0.80 RAB9A (0.51) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4516923 0.80 AGPAT2 (0.57) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5834795 0.80 RAB9A (0.45) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2491306 0.80 MMP2 (0.72) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4508204 0.78 RAB9A (0.81) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL220108 0.78 RAB9A (0.59) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9616587 0.77 MEN1 (0.67) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 US disclosed
EP-1933834-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-06-25 EP disclosed
WO-2007042816-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-19 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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 RAB9A 3680/4885NPC1 4501/4885MAPT 270/4885

“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.