SCHEMBL4510499

SCHEMBL4510499

CCS(=O)(=O)c1ccc2oc(-c3cccc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 3/20 0.65
CYP1A2 P05177 1/20 0.65
AHR P35869 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
RAB9A P51151 8/20 0.63
NPC1 O15118 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
MAPT P10636 6/20 0.63
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
HSPD1 P10809 2/20 0.56
PTPN2 P17706 2/20 0.56
PTPN1 P18031 2/20 0.56
PTPN5 P54829 2/20 0.56
HSPE1 P61604 2/20 0.56
MAOB P27338 1/20 0.55
SLC47A1 Q96FL8 1/20 0.55
TP53 P04637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL7921287 0.84 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL2243039 0.83 UTRN (0.77) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL2245400 0.82 UTRN (0.69) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL4498546 0.82 SMN1; SMN2 (0.77) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL4508204 0.82 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL2245790 0.81 UTRN (0.77) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL6686868 0.80 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL28686681 0.80 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL29531637 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL30002727 0.80 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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 UTRN 4019/4885CYP1A2 555/4885AHR 2905/4885

“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.