SCHEMBL3136459

SCHEMBL3136459

CC(C)(C)c1ccc2oc(-c3cc(COc4ccccc4Cl)cc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
CETP P11597 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CEPT1 Q9Y6K0 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 3/20 0.41
PPARG P37231 3/20 0.41
TP53 P04637 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CYP2C8 P10632 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3133366 0.85 CETP (0.50) RAB9ACETPNPC1SMN1; SMN2THRB
SCHEMBL3137680 0.85 NPC1 (0.47) RAB9ACETPNPC1SMN1; SMN2CEPT1
SCHEMBL3140877 0.80 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3138634 0.76 PTGES (0.52) RAB9ACETPNPC1SMN1; SMN2POLB
SCHEMBL4510136 0.75 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3136364 0.74 HDAC3 (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3131832 0.74 HDAC6 (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3130137 0.73 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3135925 0.72 MAPT (0.51) RAB9ANPC1SMN1; SMN2THRBMAPT
SCHEMBL4514389 0.71 RAB9A (0.50) RAB9ANPC1SMN1; SMN2THRBMAPT

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 3680/4885CETP 4523/4885NPC1 4501/4885

“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.