SCHEMBL4513561

SCHEMBL4513561

O=[N+]([O-])c1ccc(Cl)c(-c2nc3cc(Br)ccc3o2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
XBP1 P17861 1/20 0.60
HIF1A Q16665 1/20 0.60
PPARG P37231 3/20 0.54
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MCL1 Q07820 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL4505279 0.88 MAPT (0.58) MAPTPPARGRAB9ANPC1SMN1; SMN2
SCHEMBL4501854 0.85 MMP2 (0.67) MAPTPPARGRAB9ANPC1SMN1; SMN2
SCHEMBL5834676 0.85 RAB9A (0.53) MAPTXBP1HIF1APPARGRAB9A
SCHEMBL2690401 0.84 MMP2 (0.63) MAPTXBP1PPARGRAB9ANPC1
SCHEMBL5834827 0.82 RAB9A (0.64) MAPTPPARGRAB9ANPC1SMN1; SMN2
SCHEMBL4514389 0.82 RAB9A (0.50) MAPTPPARGRAB9ANPC1SMN1; SMN2
SCHEMBL27188689 0.82 PPARG (0.79) MAPTPPARGSMN1; SMN2TP53POLB
SCHEMBL4513288 0.80 APEX1 (0.59) MAPTPPARGRAB9ANPC1SMN1; SMN2
SCHEMBL12113011 0.79 TP53 (0.70) MAPTPPARGRAB9ANPC1ALDH1A1
SCHEMBL16028821 0.79 PPARG (0.41) MAPTXBP1HIF1APPARGRAB9A

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 MAPT 270/4885XBP1 208/4885HIF1A 1220/4885

“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.