SCHEMBL2651776

SCHEMBL2651776

COC(=O)c1ccc(Nc2cccc(N3CCN(CC(=O)O)CC3)c2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 7/20 0.52
TSHR P16473 6/20 0.52
MAPT P10636 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 3/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.51
HTR7 P34969 1/20 0.49
LMNA P02545 3/20 0.48
GFER P55789 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
DRD4 P21917 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2662153 0.91 GAA (0.44) NPC1ALDH1A1TSHRMAPTMEN1
SCHEMBL8259892 0.90 GAA (0.45) NPC1ALDH1A1TSHRMAPTGAA
SCHEMBL2650037 0.90 TSHR (0.42) NPC1ALDH1A1TSHRMAPTMEN1
SCHEMBL2652970 0.89 NPC1 (0.54) NPC1ALDH1A1TSHRMAPTMEN1
SCHEMBL2661435 0.88 TSHR (0.41) NPC1ALDH1A1TSHRMAPTMEN1
SCHEMBL2661722 0.87 NPC1 (0.49) NPC1ALDH1A1TSHRMAPTMEN1
SCHEMBL2651962 0.87 NPC1 (0.49) NPC1ALDH1A1TSHRMAPTMEN1
SCHEMBL2661450 0.84 TSHR (0.44) NPC1ALDH1A1TSHRMAPTMEN1
SCHEMBL2650857 0.83 TSHR (0.43) NPC1ALDH1A1TSHRMAPTMEN1
SCHEMBL2651242 0.83 TSHR (0.43) NPC1ALDH1A1TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 NPC1 3894/4885ALDH1A1 977/4885TSHR 1559/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 NPC1 3859/4885ALDH1A1 1345/4885TSHR 1688/4885

“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.