SCHEMBL3136364

SCHEMBL3136364

COC(=O)c1cc(-c2nc3cc(C(C)(C)C)ccc3o2)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PTGS2 P35354 2/20 0.49
MAPT P10636 9/20 0.48
RAB9A P51151 9/20 0.48
NPC1 O15118 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
MMP13 P45452 2/20 0.48
PPARG P37231 1/20 0.46
HSPD1 P10809 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45

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 0.89 RAB9A (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3131832 0.88 HDAC6 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3140877 0.82 RAB9A (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3135925 0.79 MAPT (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4510136 0.79 RAB9A (0.65) PTGS2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6818506 0.77 RAB9A (0.61) HDAC6PTGS2MAPTRAB9ANPC1
SCHEMBL3138804 0.77 PPARG (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL219092 0.76 RAB9A (0.49) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5378778 0.75 RAB9A (0.70) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3136459 0.74 RAB9A (0.44) PTGS2MAPTRAB9ANPC1SMN1; 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 HDAC3 609/4885HDAC1 497/4885HDAC2 988/4885

“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.