SCHEMBL4538649

SCHEMBL4538649

Cc1nc2cc(CBr)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
STAT1 P42224 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 3/20 0.41
HPGD P15428 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 1/20 0.40
BACE1 P56817 2/20 0.39

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
SCHEMBL30971796 1.00 GAA (0.51) GAAL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL1390803 0.86 POLB (0.44) GAAL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL8180377 0.84 RAB9A (0.56) GAAL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL17468547 0.82 GAA (0.51) GAAL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL30577061 0.82 GAA (0.51) GAAL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL14345867 0.82 GAA (0.51) GAAL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL8253379 0.82 GAA (0.51) GAAL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL17221544 0.82 GAA (0.51) GAAL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL21067200 0.82 GAA (0.51) GAAL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL10315086 0.81 GAA (0.50) GAAL3MBTL1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R GAA 1096/4885L3MBTL1 4737/4885RAB9A 1662/4885

“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.