SCHEMBL3137128

SCHEMBL3137128

O=[N+]([O-])c1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.82
NPC1 O15118 11/20 0.82
MAPT P10636 8/20 0.82
SMN1; SMN2 Q16637 7/20 0.82
MEN1 O00255 4/20 0.82
KMT2A Q03164 4/20 0.82
ALDH1A1 P00352 3/20 0.82
L3MBTL1 Q9Y468 2/20 0.82
LMNA P02545 1/20 0.75
CASP3 P42574 1/20 0.75
ELANE P08246 1/20 0.62
MMP2 P08253 3/20 0.61
MMP9 P14780 3/20 0.61
MMP8 P22894 3/20 0.61
MMP13 P45452 3/20 0.61
MCL1 Q07820 1/20 0.54
ATM Q13315 1/20 0.54
PSMB8 P28062 1/20 0.53
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL2246143 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4053590 0.89 RAB9A (0.66) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL6681494 0.89 RAB9A (0.66) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2491306 0.89 MMP2 (0.72) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL7921287 0.89 RAB9A (0.82) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL10943282 0.87 RAB9A (0.83) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3962448 0.86 RAB9A (0.65) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4052337 0.84 RAB9A (0.59) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL221311 0.84 RAB9A (0.59) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4056629 0.83 RAB9A (0.63) RAB9ANPC1MAPTSMN1; SMN2MEN1

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-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 US disclosed
EP-2102177-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071944-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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-20100004301-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.