SCHEMBL2030346

SCHEMBL2030346

Nc1ccc(-c2ccc(C(=O)N3CCOCC3)o2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
PKM P14618 3/20 0.55
SCN5A Q14524 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN10A Q9Y5Y9 2/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
ERN1 O75460 1/20 0.54
MAPT P10636 4/20 0.52
HPGD P15428 2/20 0.52
FABP6 P51161 1/20 0.50
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.48

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
SCHEMBL7255114 0.87 NPC1 (0.67) NPC1RAB9APKMSCN5ASCN2A
SCHEMBL3408091 0.86 RAB9A (0.74) NPC1RAB9APKMSCN5ASCN2A
SCHEMBL7259709 0.84 SCN5A (0.53) NPC1RAB9APKMSCN5ASCN2A
SCHEMBL5320608 0.79 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1772275 0.76 ERN1 (0.60) NPC1RAB9APKMSCN5ASCN2A
SCHEMBL4050262 0.75 RAB9A (0.52) NPC1RAB9APKMSCN5ASCN2A
SCHEMBL103440 0.75 PHGDH (0.69) PKMSMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL19368119 0.75 CTSC (0.53) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL25062644 0.73 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2053902 0.73 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1LMNAHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
EP-1727808-B1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2008-11-12 EP disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
EP-1727808-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS Spirogen Limited (GB) 2006-12-06 EP disclosed
WO-2005085177-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2005-09-15 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 (2 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA NPC1 2882/4885RAB9A 3598/4885PKM 3652/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 NPC1 2756/4885RAB9A 3625/4885PKM 3612/4885

“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.