SCHEMBL2652095

SCHEMBL2652095

COCCOC(=O)c1ccc(Nc2cccc(C3CCN(C)CC3)c2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PTGER4 P35408 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
GFER P55789 1/20 0.43
ALOX15 P16050 1/20 0.40
CDC25B P30305 2/20 0.39
NPY1R P25929 2/20 0.38
DRD2 P14416 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2653718 0.91 PTGER4 (0.42) PTGER4GAANPC1GFERALOX15
SCHEMBL5780492 0.86 MAPT (0.46) PTGER4GAANPC1ALDH1A1MAPT
SCHEMBL2652470 0.83 HTR1D (0.45) HDAC3HDAC1HDAC8PTGER4GAA
SCHEMBL2661269 0.82 NPC1 (0.41) PTGER4GAANPC1GFERALOX15
SCHEMBL2652875 0.78 THRB (0.47) PTGER4GAANPC1KDM4EALDH1A1
SCHEMBL2650240 0.76 MAPT (0.44) PTGER4GAANPC1ALDH1A1MAPT
SCHEMBL2651673 0.76 PTGER4 (0.45) PTGER4GAANPC1GFERCDC25B
SCHEMBL2653592 0.76 MAPT (0.43) PTGER4GAANPC1GFERCDC25B
SCHEMBL2662043 0.76 HTR1D (0.44) HDAC3HDAC1HDAC8PTGER4GAA
SCHEMBL2651855 0.76 PRMT1 (0.49) PTGER4GAANPC1GFERALOX15

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 HDAC3 115/4885HDAC4 463/4885HDAC1 905/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 HDAC3 88/4885HDAC4 400/4885HDAC1 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.