SCHEMBL13405877

SCHEMBL13405877

COc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 1.00
▸ CTSS P25774 3/20 0.77
▸ LMNA P02545 2/20 0.77
▸ TP53 P04637 1/20 0.76
▸ PKM P14618 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.70
▸ THRB P10828 1/20 0.69

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
SCHEMBL13406284 0.91 HSD17B10 (0.83) HSD17B10CTSSLMNATP53PKM
SCHEMBL13405879 0.89 TP53 (0.86) HSD17B10CTSSLMNATP53PKM
SCHEMBL13405944 0.89 HSD17B10 (0.80) HSD17B10CTSSLMNATP53PKM
SCHEMBL13406197 0.88 HSD17B10 (0.78) HSD17B10CTSSLMNATP53PKM
SCHEMBL13406063 0.88 HSD17B10 (0.78) HSD17B10CTSSLMNATP53PKM
SCHEMBL13406216 0.87 HSD17B10 (0.77) HSD17B10CTSSLMNATP53PKM
SCHEMBL13406213 0.87 HSD17B10 (0.76) HSD17B10CTSSLMNATP53PKM
SCHEMBL13405890 0.87 LMNA (1.00) HSD17B10CTSSLMNATP53PKM
SCHEMBL14332418 0.87 ALDH1A1 (0.84) HSD17B10CTSSLMNATP53PKM
SCHEMBL13406062 0.87 CTSS (1.00) HSD17B10CTSSLMNATP53PKM

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
US-7705031-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-27 — — US disclosed
US-7705031-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-27 — — US disclosed
US-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 — — US disclosed
US-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 — — US disclosed
US-7309716-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-18 — — US disclosed
US-7309716-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-18 — — US 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-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNJ11, KCNJ1, KCNJ2 HSD17B10 3940/4885CTSS 3275/4885LMNA 2494/4885

“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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