SCHEMBL2652723

SCHEMBL2652723

CSCCOC(=O)c1ccc(Nc2cccc(Cn3ccnc3)c2)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.44
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
AGTR2 P50052 2/20 0.40
CDC25B P30305 2/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
TBXAS1 P24557 2/20 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
SCHEMBL2650128 0.88 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2AGTR2NPC1
SCHEMBL2652140 0.87 CYP19A1 (0.44) CYP19A1
SCHEMBL2652728 0.78 CDC25B (0.39) CDC25BNPC1GAAGFER
SCHEMBL2650375 0.75 FGFR1 (0.46) CYP19A1CYP11B1CYP11B2
SCHEMBL2651961 0.74 ALDH1A1 (0.51) CYP19A1CYP11B1CYP11B2
SCHEMBL2652432 0.74 HTR1D (0.41) CDC25BNPC1GAAGFER
SCHEMBL2653262 0.69 CDC25B (0.58) CDC25BNPC1GAAGFER
SCHEMBL27481116 0.68 TBXAS1 (0.54) CYP19A1CYP11B1CYP11B2AGTR2TBXAS1
SCHEMBL2651855 0.68 PRMT1 (0.49) CDC25BNPC1GAAGFER
SCHEMBL13604350 0.68 MEN1 (0.63) CYP19A1CYP11B1CYP11B2POLBTBXAS1

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 CYP19A1 1441/4885CYP11B1 81/4885CYP11B2 50/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 CYP19A1 1744/4885CYP11B1 82/4885CYP11B2 48/4885

“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.