SCHEMBL5021240

SCHEMBL5021240

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSK P43235 4/20 0.42
CTSS P25774 1/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
AAK1 Q2M2I8 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
CACNA1B Q00975 1/20 0.38
MIF P14174 1/20 0.37

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
SCHEMBL1773796 0.81 NPC1 (0.50) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL1773795 0.81 NPC1 (0.50) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL3819136 0.77 CTSS (0.54) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL3819131 0.77 CTSS (0.54) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL6930571 0.76 NPC1 (0.48) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL12647563 0.76 NPC1 (0.48) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL10154459 0.75 NPC1 (0.49) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL13365447 0.74 CTSK (0.54) CTSKCTSSCYP2D6
SCHEMBL13897570 0.73 CTSK (0.50) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL6930579 0.73 NPC1 (0.48) NPC1RECQLRAB9ASMN1; SMN2CTSK

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-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-03 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-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 NPC1 978/4885RECQL 1146/4885RAB9A 1231/4885

“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.