SCHEMBL13406050

SCHEMBL13406050

Cc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 1.00
▸ HSD17B10 Q99714 1/20 0.76
▸ PKM P14618 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ CTSS P25774 3/20 0.72
▸ LMNA P02545 2/20 0.72
▸ THRB P10828 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.66

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
SCHEMBL13405879 0.93 TP53 (0.86) TP53HSD17B10PKMSMN1; SMN2CTSS
SCHEMBL13406007 0.89 TP53 (0.81) TP53HSD17B10PKMSMN1; SMN2CTSS
SCHEMBL13405921 0.88 TP53 (0.79) TP53HSD17B10PKMSMN1; SMN2CTSS
SCHEMBL13406216 0.86 HSD17B10 (0.77) TP53HSD17B10PKMSMN1; SMN2CTSS
SCHEMBL13405922 0.86 TP53 (0.76) TP53HSD17B10PKMSMN1; SMN2CTSS
SCHEMBL13405877 0.86 HSD17B10 (1.00) TP53HSD17B10PKMSMN1; SMN2CTSS
SCHEMBL13406063 0.85 HSD17B10 (0.78) TP53HSD17B10PKMSMN1; SMN2CTSS
SCHEMBL13406034 0.85 CTSS (0.75) TP53HSD17B10PKMSMN1; SMN2CTSS
SCHEMBL13406282 0.85 PKM (0.82) TP53HSD17B10PKMSMN1; SMN2CTSS
SCHEMBL13406056 0.84 PKM (0.85) TP53HSD17B10PKMSMN1; SMN2CTSS

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 TP53 4215/4885HSD17B10 3940/4885PKM 1128/4885

“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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