SCHEMBL2652432

SCHEMBL2652432

CSCCOC(=O)c1ccc(Nc2cccc(N3CCN(C)CC3)c2)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 2/20 0.41
GFER P55789 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
CDK11A Q9UQ88 1/20 0.40
FLT3 P36888 1/20 0.39
CDC25B P30305 2/20 0.39
EML4 Q9HC35 1/20 0.39
ALK Q9UM73 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PTGER4 P35408 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
SCHEMBL2662043 0.91 HTR1D (0.44) HTR1DHTR1BHTR2ANPC1GAA
SCHEMBL2652470 0.89 HTR1D (0.45) HTR1DHTR1BHTR2ANPC1GAA
SCHEMBL2651563 0.86 MAPT (0.44) NPC1PTGER4MAPTALDH1A1THRB
SCHEMBL7062624 0.83 HTR4 (0.43) HTR1DHTR1BHTR2AGAACCNT1
SCHEMBL2662336 0.82 HTR4 (0.42) NPC1GAAGFERCDC25BHRH3
SCHEMBL4698910 0.81 HTR4 (0.46) NPC1GAAGFERHRH3PTGER4
SCHEMBL2651673 0.80 PTGER4 (0.45) NPC1GAAGFERCDC25BPTGER4
SCHEMBL2653592 0.80 MAPT (0.43) NPC1GAAGFERCCNT1CDK9
SCHEMBL2661450 0.79 TSHR (0.44) NPC1GAAGFERCDC25BPTGER4
SCHEMBL2650037 0.79 TSHR (0.42) NPC1GAAGFERCDC25BMAPT

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
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 (1 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 HTR1D 1776/4885HTR1B 1557/4885HTR2A 1798/4885

“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.