SCHEMBL12423552

SCHEMBL12423552

COC(=O)[C@]1(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C[C@H]1c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.45
USP30 Q70CQ3 2/20 0.43
ALDH1A1 P00352 1/20 0.43
UCHL1 P09936 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
RORC P51449 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.38
HSD11B1 P28845 1/20 0.38
SCN4A P35499 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
SCHEMBL2073359 1.00 LMNA (0.46) LMNANPSR1NPC1USP30ALDH1A1
SCHEMBL2073363 1.00 LMNA (0.46) LMNANPSR1NPC1USP30ALDH1A1
SCHEMBL2073361 1.00 LMNA (0.46) LMNANPSR1NPC1USP30ALDH1A1
SCHEMBL2073044 0.92 LMNA (0.46) LMNANPSR1NPC1USP30ALDH1A1
SCHEMBL2073040 0.92 LMNA (0.46) LMNANPSR1NPC1USP30ALDH1A1
SCHEMBL2364606 0.92 LMNA (0.46) LMNANPSR1NPC1USP30ALDH1A1
SCHEMBL8025802 0.91 LMNA (0.48) LMNANPSR1NPC1USP30ALDH1A1
SCHEMBL2073379 0.88 NTSR2 (0.36) ALDH1A1KMT2AKDM4E
SCHEMBL2072723 0.88 NTSR2 (0.36) ALDH1A1KMT2AKDM4E
SCHEMBL2072725 0.88 NTSR2 (0.36) ALDH1A1KMT2AKDM4E

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 LMNA 2051/4885NPSR1 80/4885NPC1 628/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R LMNA 2051/4885NPSR1 80/4885NPC1 628/4885

“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.