SCHEMBL3140877

SCHEMBL3140877

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 1/20 0.48
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP8 P22894 4/20 0.48
MMP13 P45452 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.46
ATM Q13315 1/20 0.46
GFER P55789 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL3130137 0.83 RAB9A (0.50) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL3136364 0.82 HDAC3 (0.49) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL3131832 0.82 HDAC6 (0.48) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL4510136 0.81 RAB9A (0.65) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL3136459 0.80 RAB9A (0.44) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL3133366 0.80 CETP (0.50) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5378778 0.77 RAB9A (0.70) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL14947174 0.73 NPC1 (0.75) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL4514389 0.73 RAB9A (0.50) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL220919 0.73 RAB9A (0.50) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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.