SCHEMBL19029322

SCHEMBL19029322

COC(=O)c1ccc2nc(-c3ccc(C(C)C)cc3)[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
RHEB Q15382 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL6301028 0.73 MAPK1 (0.41) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL14879026 0.70 MAPT (0.37) RHEBSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9320290 0.70 GABRP (0.40) SMN1; SMN2KDM4EALDH1A1LMNAPKM
SCHEMBL2836985 0.69 GABRA1 (0.44) SMN1; SMN2KDM4EALDH1A1LMNAPDE2A
SCHEMBL2668206 0.69 PIN1 (0.49) HDAC6HDAC3HDAC1HDAC8SMN1; SMN2
SCHEMBL11375181 0.68 HDAC8 (0.56) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL18229572 0.68 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14190752 0.68 CHEK2 (0.67) CHEK2
SCHEMBL13160197 0.67 HDAC3 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26915323 0.67 KDM4E (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2019-09-19 US disclosed
EP-3394052-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-10-31 EP disclosed
WO-2017108282-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2017-06-29 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 (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 10/4885HDAC3 12/4885HDAC1 1/4885
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC1, HDAC11, HDAC10 HDAC6 10/4885HDAC3 12/4885HDAC1 1/4885

“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.