SCHEMBL21352568

SCHEMBL21352568

O=C(NO)c1ccc2oc(-c3ccc(-c4ccc(CN5CCCCC5)cc4)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 18/20 1.00
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ HDAC3 O15379 4/20 0.60
▸ HDAC1 Q13547 4/20 0.60
▸ HDAC2 Q92769 4/20 0.60
▸ HDAC8 Q9BY41 4/20 0.60

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
SCHEMBL19029290 0.99 HDAC6 (0.98) HDAC6NPC1RAB9AHDAC3HDAC1
Trifluoroacetic Acid SCHEMBL21352550 0.94 HDAC6 (0.88) HDAC6NPC1RAB9AHDAC3HDAC1
Trifluoroacetic Acid SCHEMBL19029831 0.93 HDAC6 (0.86) HDAC6NPC1RAB9AHDAC3HDAC1
SCHEMBL19029104 0.88 HDAC6 (0.79) HDAC6NPC1RAB9AHDAC3HDAC1
SCHEMBL19029292 0.85 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21352551 0.84 HDAC6 (0.73) HDAC6NPC1RAB9AHDAC3HDAC1
SCHEMBL21352481 0.83 HDAC6 (0.71) HDAC6NPC1RAB9AHDAC3HDAC1
SCHEMBL23677097 0.83 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19029584 0.83 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL19029761 0.82 HDAC6 (0.70) HDAC6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602812-B Bicyclic hydroxamic acids useful as inhibitors of histone deacetylase activity in mammals 坎塞拉有限公司 2021-11-02 — — CN claimed
EP-3394052-B1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2021-07-28 — — EP claimed
US-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity KANCERA AB (SE) 2020-05-19 — — US claimed
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2019-09-19 — — US claimed
EP-3394052-B1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2021-07-28 — — EP disclosed
EP-3394052-B1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2021-07-28 — — EP disclosed
US-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity KANCERA AB (SE) 2020-05-19 — — US disclosed
US-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity KANCERA AB (SE) 2020-05-19 — — US disclosed
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2019-09-19 — — US disclosed
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2019-09-19 — — 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 (2 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-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity HDAC1, HDAC11, HDAC10 HDAC6 10/4885NPC1 3040/4885RAB9A 2788/4885
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC1, HDAC11, HDAC10 HDAC6 10/4885NPC1 3040/4885RAB9A 2788/4885

“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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