SCHEMBL1836335

SCHEMBL1836335

O=C(c1ccc2nc([C@@H]3CCCN3)[nH]c2c1)c1ccc2nc([C@@H]3CCCN3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.62
▸ PARP1 P09874 5/20 0.50
▸ NPY5R Q15761 1/20 0.47
▸ TXN P10599 1/20 0.46
▸ ABL1 P00519 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ FABP6 P51161 1/20 0.45
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CHEK2 O96017 1/20 0.40

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
SCHEMBL1836345 1.00 SCN10A (0.62) SCN10APARP1NPY5RTXNABL1
SCHEMBL1841241 0.87 SCN10A (0.56) SCN10APARP1NPY5RABL1ALDH1A1
SCHEMBL14641546 0.87 SCN10A (0.56) SCN10APARP1NPY5RCYP2D6CYP2C9
SCHEMBL12053448 0.81 SCN10A (0.67) SCN10APARP1NPY5RRAB9ANPC1
SCHEMBL9980276 0.80 SCN10A (0.66) SCN10APARP1RAB9ACYP2D6CYP2C9
SCHEMBL2706817 0.80 SCN10A (0.66) SCN10APARP1NPY5RRAB9AALDH1A1
SCHEMBL15585670 0.80 SCN10A (0.70) SCN10APARP1POLBRAB9AALDH1A1
SCHEMBL12798656 0.80 SCN10A (0.66) SCN10APARP1RAB9ACYP2D6CYP2C9
SCHEMBL203888 0.80 SCN10A (0.66) SCN10APARP1NPY5RRAB9AALDH1A1
SCHEMBL15746270 0.80 SCN10A (0.70) SCN10APARP1POLBRAB9AALDH1A1

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-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 — — EP disclosed
EP-2318376-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-05-11 — — 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-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 4625/4885PARP1 3489/4885NPY5R 4728/4885

“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.

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