SCHEMBL2650128

SCHEMBL2650128

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.52
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
POLB P06746 1/20 0.46
AGTR2 P50052 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TBXAS1 P24557 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL2652723 0.88 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2NPC1GAA
SCHEMBL2651961 0.85 ALDH1A1 (0.51) CYP19A1CYP11B1CYP11B2
SCHEMBL10672549 0.75 TBXAS1 (0.73) CYP19A1NPC1POLBTBXAS1
SCHEMBL9683164 0.74 GAA (0.70) NPC1GAAGFERPOLBKDM4E
SCHEMBL6033876 0.74 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2NPC1POLB
SCHEMBL2652140 0.74 CYP19A1 (0.44) CYP19A1
SCHEMBL15020894 0.74 GAA (0.60) NPC1GAAGFERKDM4E
SCHEMBL27481116 0.73 TBXAS1 (0.54) CYP19A1CYP11B1CYP11B2AGTR2TBXAS1
SCHEMBL4002584 0.73 GAA (0.72) NPC1GAAGFERKDM4E
SCHEMBL23675160 0.73 GAA (0.58) NPC1GAAGFERKDM4E

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.