SCHEMBL3138804

SCHEMBL3138804

Cc1c(Cl)cccc1N(C)C(=O)c1cc(-c2nc3cc(C(C)(C)C)ccc3o2)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP13 P45452 2/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 1/20 0.40
TP53 P04637 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
THRB P10828 1/20 0.39
CYP2C8 P10632 1/20 0.38

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
SCHEMBL3138271 0.87 RAB9A (0.43) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3135925 0.83 MAPT (0.51) PPARGMMP2MMP9MMP8MMP13
SCHEMBL3131832 0.80 HDAC6 (0.48) PPARGMMP2MMP9MMP8MMP13
SCHEMBL3130137 0.79 RAB9A (0.50) PPARGMMP2MMP9MMP8MMP13
SCHEMBL3145582 0.78 PTGES (0.52) PPARGMAPTSMN1; SMN2PTGS2TP53
SCHEMBL3136364 0.77 HDAC3 (0.49) PPARGMMP2MMP9MMP8MMP13
SCHEMBL4510136 0.74 RAB9A (0.65) PPARGMMP2MMP9MMP8MMP13
SCHEMBL3140877 0.72 RAB9A (0.48) PPARGMMP2MMP9MMP8MMP13
SCHEMBL3136459 0.71 RAB9A (0.44) PPARGMMP2MMP9MMP8MMP13
SCHEMBL3133366 0.69 CETP (0.50) PPARGMAPTRAB9ASMN1; SMN2NPC1

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 1 patent. 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

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 PPARG 280/4885MMP2 181/4885MMP9 466/4885

“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.