SCHEMBL18992471

SCHEMBL18992471

CC(CNCCCCN1C(=O)c2ccccc2C1=O)NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 11/20 0.55
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47

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
SCHEMBL18992466 1.00 ACHE (0.55) ACHEHDAC1HDAC7
SCHEMBL19000809 0.84 ACHE (0.46) ACHE
SCHEMBL30518286 0.84 ACHE (0.46) ACHE
SCHEMBL18983144 0.80 ACHE (0.55) ACHEHDAC1HDAC7
SCHEMBL18342385 0.80 MMP2 (0.50) HDAC1HDAC7
SCHEMBL15905967 0.77 ACHE (0.60) ACHEHDAC1HDAC7
SCHEMBL9987996 0.77 KMT2A (0.52) —
SCHEMBL18703753 0.76 ACHE (0.62) ACHEHDAC1HDAC7
SCHEMBL7946668 0.75 ACHE (0.74) ACHE
SCHEMBL9827604 0.74 ACHE (0.69) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3389654-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-08-16 — — EP disclosed
US-20180362518-A1 DIAMINO-ALKYLAMINO-Linked ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2018-12-20 — — US disclosed
EP-3389654-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2018-10-24 — — EP disclosed
WO-2017106409-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 — — 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-20180362518-A1 DIAMINO-ALKYLAMINO-Linked ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN7A, SCN1A ACHE 491/4885HDAC1 1605/4885HDAC7 1374/4885

“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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