SCHEMBL3448500

SCHEMBL3448500

CC(C)(C)OC(=O)N1CCCCC1C(=O)NCC(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
USP30 Q70CQ3 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
UCHL1 P09936 2/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
SCN5A Q14524 1/20 0.43
SCN3A Q9NY46 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
FKBP1A P62942 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3448502 1.00 NPC1 (0.54) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL12547915 0.97 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL571211 0.97 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL204402 0.97 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL29666029 0.91 LMNA (0.56) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL23247917 0.89 SMN1; SMN2 (0.53) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL11910976 0.88 NPC1 (0.60) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL14845515 0.88 NPC1 (0.60) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL19789881 0.87 LMNA (0.60) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL883239 0.87 NPC1 (0.59) NPC1ALDH1A1SMN1; SMN2LMNANPSR1

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-20100215618-A1 NOVEL COMPOUNDS - 644 ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 US disclosed
WO-2010094977-A1 NOVEL BIPHENYL COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 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-20100215618-A1 NOVEL COMPOUNDS - 644 NR1H4, HAVCR2, CYP3A4 NPC1 764/4885ALDH1A1 1071/4885SMN1; SMN2 2586/4885

“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.