SCHEMBL3130137

SCHEMBL3130137

CC(C)(C)c1ccc2oc(-c3cc(C(=O)O)cc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP8 P22894 4/20 0.48
MMP13 P45452 4/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MCL1 Q07820 1/20 0.46
ATM Q13315 1/20 0.46
GFER P55789 1/20 0.45
PTGS2 P35354 2/20 0.44

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
SCHEMBL3131832 0.91 HDAC6 (0.48) RAB9ANPC1SMN1; SMN2HDAC6HDAC3
SCHEMBL3136364 0.89 HDAC3 (0.49) RAB9ANPC1SMN1; SMN2HDAC6HDAC3
SCHEMBL3140877 0.83 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HDAC6HDAC3
SCHEMBL4510136 0.81 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MMP2MMP9
SCHEMBL1675419 0.81 HDAC6 (0.68) RAB9ANPC1SMN1; SMN2HDAC6HDAC3
SCHEMBL1675285 0.80 HDAC6 (0.55) RAB9ANPC1SMN1; SMN2HDAC6HDAC3
SCHEMBL3135925 0.80 MAPT (0.51) RAB9ANPC1SMN1; SMN2HDAC6HDAC3
SCHEMBL3138804 0.79 PPARG (0.43) RAB9ANPC1SMN1; SMN2HDAC6HDAC3
SCHEMBL5378778 0.77 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HDAC6HDAC3
SCHEMBL11566111 0.76 HDAC6 (0.76) RAB9ANPC1SMN1; SMN2HDAC6HDAC3

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 4501/4885SMN1; SMN2 2389/4885

“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.