SCHEMBL2650866

SCHEMBL2650866

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.53
MAPT P10636 5/20 0.50
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46

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
SCHEMBL2652970 0.91 NPC1 (0.54) PRMT1MAPTHSD17B10KDM4ETP53
SCHEMBL2662153 0.90 GAA (0.44) PRMT1MAPTHSD17B10KDM4ETP53
SCHEMBL2651673 0.90 PTGER4 (0.45) PRMT1MAPTTSHRLMNAALDH1A1
SCHEMBL2653364 0.90 HTR7 (0.45) PRMT1NPC1GLSDRD2DRD3
SCHEMBL2650857 0.88 TSHR (0.43) MAPTTSHRLMNAALDH1A1KMT2A
SCHEMBL2651242 0.88 TSHR (0.43) PRMT1MAPTHSD17B10KDM4ETP53
SCHEMBL2652470 0.88 HTR1D (0.45) MAPTHDAC3HDAC1HDAC8ALDH1A1
SCHEMBL2662484 0.87 THRB (0.47) MAPTHSD17B10KDM4ETP53TSHR
SCHEMBL2651430 0.86 PTGER4 (0.43) PRMT1MAPTTSHRLMNAALDH1A1
SCHEMBL2661919 0.86 NPC1 (0.41) PRMT1MAPTHSD17B10KDM4ETP53

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 PRMT1 1923/4885MAPT 906/4885HSD17B10 1948/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 PRMT1 1965/4885MAPT 981/4885HSD17B10 1790/4885

“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.