SCHEMBL2074562

SCHEMBL2074562

CC(C#N)N(C(=O)C1CCCCN1C(=O)OC(C)(C)C)c1ccc(Br)nc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 10/20 0.44
UCHL1 P09936 7/20 0.42
HSD11B1 P28845 1/20 0.38
NPC1 O15118 1/20 0.37
SCN4A P35499 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2073459 0.87 USP30 (0.37) USP30UCHL1
SCHEMBL2072192 0.80 USP30 (0.54) USP30UCHL1NPC1HSD17B10
SCHEMBL21198076 0.79 UCHL1 (0.52) USP30UCHL1NPC1HSD17B10KDM4E
SCHEMBL2074559 0.74 USP30 (0.42) USP30UCHL1NPC1KDM4E
SCHEMBL3662047 0.74 ALDH1A1 (0.44) USP30UCHL1NPC1KDM4E
SCHEMBL2074561 0.74 USP30 (0.42) USP30UCHL1NPC1KDM4E
SCHEMBL749562 0.71 UCHL1 (0.45) USP30UCHL1NPC1HSD17B10
SCHEMBL2072505 0.71 USP30 (0.46) USP30UCHL1HSD11B1NPC1HSD17B10
SCHEMBL13379500 0.70 NPC1 (0.67) USP30UCHL1NPC1KDM4E
SCHEMBL31188383 0.70 NPC1 (0.67) USP30UCHL1NPC1KDM4E

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-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 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 (2 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R USP30 3892/4885UCHL1 4197/4885HSD11B1 594/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R USP30 3892/4885UCHL1 4197/4885HSD11B1 594/4885

“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.