SCHEMBL1914830

SCHEMBL1914830

O=C(O)C[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2)ns1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
LMNA P02545 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HTT P42858 3/20 0.58
ADORA3 P0DMS8 9/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPT P10636 1/20 0.52
GFER P55789 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1914838 1.00 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL2026012 0.79 FFAR2 (0.47) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9891806 0.77 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL4950599 0.76 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL70743 0.75 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9852174 0.74 ADORA3 (0.77) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9892914 0.74 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL1916530 0.74 MME (0.58) L3MBTL1TP53
SCHEMBL1916535 0.74 MME (0.58) L3MBTL1TP53
SCHEMBL3842528 0.73 CPA1 (0.64) MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC SMN1; SMN2 3353/4885NPC1 28/4885RAB9A 1681/4885

“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.