SCHEMBL18229503

SCHEMBL18229503

O=C(NO)c1ccc2nc(-c3ccc(CN4CCCCC4)cc3)[nH]c2c1

nearest known ligand 0.96

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 0.96
▸ HDAC1 Q13547 8/20 0.81
▸ HDAC8 Q9BY41 8/20 0.81
▸ HDAC3 O15379 7/20 0.81
▸ HDAC2 Q92769 5/20 0.81

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
SCHEMBL18229613 0.99 HDAC6 (0.98) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL18229549 0.98 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2
Trifluoroacetic Acid SCHEMBL18229621 0.92 HDAC6 (0.87) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL18237003 0.90 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL18229535 0.90 HDAC6 (0.98) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL18229530 0.90 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL18237006 0.89 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL18229546 0.89 HDAC6 (0.91) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL21900342 0.84 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC3HDAC2
Trifluoroacetic Acid SCHEMBL18229711 0.84 HDAC6 (0.86) HDAC6HDAC1HDAC8HDAC3HDAC2

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-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 — — EP claimed
EP-3294715-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-03-21 — — EP claimed
WO-2016180472-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2016-11-17 — — WO claimed
EP-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 — — EP disclosed
US-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2018-04-26 — — US disclosed
WO-2016180472-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2016-11-17 — — 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-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC6, HDAC1, HDAC11 HDAC6 1/4885HDAC1 2/4885HDAC8 10/4885

“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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