SCHEMBL1609093

SCHEMBL1609093

CC(C)(C)[C@H](N)c1noc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.49
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 8/20 0.42
NOTUM Q6P988 1/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 4/20 0.42
PKM P14618 3/20 0.42
HPGD P15428 3/20 0.42
S1PR1 P21453 1/20 0.42
TP53 P04637 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 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
Hydrochloric Acid SCHEMBL29485544 0.80 NR1H4 (0.52) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL6979487 0.78 NR1H4 (0.57) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL8433800 0.77 NR1H4 (0.45) NR1H4RAB9ANPC1NFKB1NFKB2
Hydrochloric Acid SCHEMBL8437871 0.76 NR1H4 (0.44) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL2164727 0.73 NOTUM (0.45) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL8293809 0.73 NOTUM (0.45) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL2164730 0.73 NOTUM (0.45) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL3618510 0.72 HDAC6 (0.42) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL1609983 0.71 NOTUM (0.50) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL77636 0.70 NR1H4 (0.57) NR1H4RAB9ANPC1NFKB1NFKB2

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-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 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-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 NR1H4 1726/4885RAB9A 3656/4885NPC1 3580/4885

“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.