SCHEMBL6930579

SCHEMBL6930579

CC(O)[C@H](N/C=C/c1ccc(Br)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
AAK1 Q2M2I8 7/20 0.39
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CACNA1B Q00975 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MIF P14174 1/20 0.35
TRPA1 O75762 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL12647563 0.81 NPC1 (0.48) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6930571 0.81 NPC1 (0.48) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5021240 0.73 NPC1 (0.51) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1773796 0.72 NPC1 (0.50) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1773795 0.72 NPC1 (0.50) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6131580 0.72 CA1 (0.52) CTSSCTSKMEN1KMT2ATSHR
SCHEMBL3819136 0.72 CTSS (0.54) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3819131 0.72 CTSS (0.54) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL13897570 0.71 CTSK (0.50) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1754171 0.70 SMN1; SMN2 (0.53) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R NPC1 785/4885RECQL 1422/4885RAB9A 2356/4885

“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.