SCHEMBL12799036

SCHEMBL12799036

c1cc2[nH]c([C@@H]3CCCN3)nc2cc1-c1cnc(-c2ccc3nc([C@@H]4C[C@@H]5C[C@@H]5N4)[nH]c3c2)o1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ DGAT1 O75907 1/20 0.37
▸ PARP1 P09874 2/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ CDC7 O00311 2/20 0.30
▸ CCNE1 P24864 2/20 0.30
▸ CDK2 P24941 2/20 0.30
▸ ROCK1 Q13464 2/20 0.30
▸ DBF4 Q9UBU7 2/20 0.30
▸ NPY5R Q15761 1/20 0.30
▸ SNCA P37840 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL12799037 0.91 SCN10A (0.50) SCN10ADGAT1PARP1TLR9TLR8
SCHEMBL12799040 0.87 PARP1 (0.39) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12798837 0.77 SCN10A (0.63) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12799035 0.77 PARP1 (0.45) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12798936 0.75 SCN10A (0.60) SCN10APARP1CDC7NPY5RAAK1
SCHEMBL12403439 0.75 SCN3A (0.47) SCN10APARP1AAK1
SCHEMBL10201555 0.74 DHODH (0.43) PARP1
SCHEMBL12403437 0.74 DHODH (0.43) PARP1
SCHEMBL12405016 0.73 DHODH (0.39) SCN10APARP1CCNE1CDK2
SCHEMBL12403445 0.73 SCN3A (0.37) SCN10APARP1CCNE1CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 — — EP disclosed
US-7906655-B2 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-15 — — US disclosed
US-7906655-B2 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-15 — — US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 — — US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 — — US disclosed
WO-2010017401-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-11 — — 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-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SCN10A 4625/4885DGAT1 811/4885PARP1 3489/4885

“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.

Send feedback