SCHEMBL2652970

SCHEMBL2652970

COC(=O)c1ccc(Nc2cccc(N3CCN(Cc4ccccc4)CC3)c2)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 7/20 0.54
KMT2A Q03164 5/20 0.54
HSD17B10 Q99714 4/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PRMT1 Q99873 1/20 0.53
MAPT P10636 6/20 0.52
TSHR P16473 3/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
LMNA P02545 3/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL2650866 0.91 PRMT1 (0.53) NPC1ALDH1A1KMT2AHSD17B10MEN1
SCHEMBL2651776 0.89 NPC1 (0.53) NPC1ALDH1A1KMT2AHSD17B10MEN1
SCHEMBL2662237 0.85 ALDH1A1 (0.54) ALDH1A1KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL2661722 0.85 NPC1 (0.49) NPC1ALDH1A1KMT2AHSD17B10MEN1
SCHEMBL2651962 0.85 NPC1 (0.49) NPC1ALDH1A1KMT2AHSD17B10MEN1
SCHEMBL7388920 0.82 ALDH1A1 (0.65) ALDH1A1KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL2653364 0.81 HTR7 (0.45) NPC1PRMT1HTR7
SCHEMBL2662153 0.80 GAA (0.44) NPC1ALDH1A1KMT2AHSD17B10MEN1
SCHEMBL2651673 0.80 PTGER4 (0.45) NPC1ALDH1A1PRMT1MAPTTSHR
SCHEMBL5781329 0.79 NPC1 (0.52) NPC1KMT2AMEN1SMN1; SMN2MAPT

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 977/4885KMT2A 1116/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 NPC1 3859/4885ALDH1A1 1345/4885KMT2A 1597/4885

“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.