SCHEMBL5778525

SCHEMBL5778525

CC(OC(=O)c1cccc(Nc2ccc(-c3ccoc3)cc2N)c1)c1ccc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.39
CDC25B P30305 7/20 0.38
HDAC1 Q13547 2/20 0.36
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.35
GFER P55789 1/20 0.35
SERPINE1 P05121 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ROCK1 Q13464 1/20 0.33
BRAF P15056 1/20 0.32
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2661542 0.87 AKR1C4 (0.42) MAPTTHRBHPGDAKR1C4AKR1C3
SCHEMBL2662734 0.78 HDAC2 (0.37) HDAC2CDC25BHDAC1NPC1GAA
SCHEMBL2643778 0.77 GAA (0.54) HDAC2CDC25BHDAC1NPC1GAA
SCHEMBL27482947 0.73 GAA (0.47) HDAC2CDC25BHDAC1NPC1GAA
SCHEMBL27578439 0.73 CDC25B (0.42) HDAC2CDC25BHDAC1NPC1GAA
SCHEMBL2653100 0.71 ADRB2 (0.43) NPC1GAAMAPTHTTRAB9A
SCHEMBL5778521 0.71 CHRNB2 (0.57)
SCHEMBL6280909 0.71 L3MBTL1 (0.40) HDAC2CDC25BHDAC1
SCHEMBL9071943 0.70 HDAC2 (0.41) HDAC2HDAC1NPC1GAAGFER
SCHEMBL2643656 0.68 HDAC2 (0.41) HDAC2HDAC1GAAGFERSERPINE1

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 5 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

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 HDAC2 373/4885CDC25B 3722/4885HDAC1 905/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 HDAC2 325/4885CDC25B 3778/4885HDAC1 747/4885

“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.