SCHEMBL19029328

SCHEMBL19029328

O=C(NO)c1ccc2oc(-c3ccc4c(c3)OCCO4)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 1.00
▸ KDM4E B2RXH2 3/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ ADRB2 P07550 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ PPARG P37231 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ NCOA2 Q15596 1/20 0.64
▸ NCOA1 Q15788 1/20 0.64
▸ SAE1 Q9UBE0 1/20 0.64
▸ UBA2 Q9UBT2 1/20 0.64
▸ NCOA3 Q9Y6Q9 1/20 0.64
▸ HDAC3 O15379 4/20 0.64
▸ HDAC1 Q13547 4/20 0.64

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
SCHEMBL19029193 0.93 HDAC6 (1.00) HDAC6KDM4EALDH1A1MAPTHPGD
SCHEMBL19029170 0.88 HDAC6 (0.77) HDAC6KDM4EALDH1A1LMNAMAPT
SCHEMBL21352482 0.80 HDAC6 (0.81) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19028972 0.80 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19029183 0.80 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19029422 0.80 HDAC6 (0.71) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1675536 0.80 HDAC6 (0.77) HDAC6KDM4EALDH1A1LMNAMAPT
SCHEMBL19029203 0.79 HDAC6 (0.95) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19029271 0.79 HDAC6 (0.81) HDAC6MAPTHDAC3HDAC1HDAC2
SCHEMBL19029159 0.79 HDAC6 (0.79) 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 13 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-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-10-31 — — EP claimed
WO-2017108282-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2017-06-29 — — WO claimed
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 disclosed
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 10/4885KDM4E 1411/4885ALDH1A1 1264/4885
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC1, HDAC11, HDAC10 HDAC6 10/4885KDM4E 1411/4885ALDH1A1 1264/4885

“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.

Send feedback