SCHEMBL4380122

SCHEMBL4380122

Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC2 Q92769 15/20 1.00
HDAC3 O15379 15/20 1.00
HDAC8 Q9BY41 5/20 1.00
HDAC4 P56524 4/20 1.00
NCOR2 Q9Y618 11/20 0.81
HDAC6 Q9UBN7 5/20 0.81
HDAC7 Q8WUI4 2/20 0.81
HDAC10 Q969S8 2/20 0.81
HDAC11 Q96DB2 2/20 0.81
HDAC9 Q9UKV0 2/20 0.81
HDAC5 Q9UQL6 2/20 0.81
TET3 O43151 1/20 0.81
BRD4 O60885 1/20 0.81
FOXO1 Q12778 1/20 0.81
TET2 Q6N021 1/20 0.81
PIK3C3 Q8NEB9 1/20 0.81
TET1 Q8NFU7 1/20 0.81
KCNH2 Q12809 2/20 0.63

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
SCHEMBL4380126 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL29454794 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL31087946 0.91 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL4349158 0.91 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL30255503 0.91 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL4349156 0.91 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL11892323 0.90 HDAC1 (0.81) HDAC1HDAC2HDAC3HDAC8HDAC4
Hydrochloric Acid SCHEMBL19743942 0.90 HDAC1 (0.81) HDAC1HDAC2HDAC3HDAC8HDAC4
Panobinostat SCHEMBL164801 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC4
Panobinostat SCHEMBL22773814 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117598-A2 FORMULATIONS OF DEACETYLASE INHIBITORS Novartis AG (CH) 2009-11-18 EP claimed
WO-2008086330-A2 FORMULATIONS OF DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2008-07-17 WO claimed
CN-114302746-A Combination therapy comprising an anti-CD 25 antibody drug conjugate and another agent ADC治疗有限公司 2022-04-08 CN disclosed
EP-2032531-B1 SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE NOVARTIS AG (CH) 2016-02-10 EP disclosed
US-20110112308-A1 Salts of N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide NOVARTIS AG (CH) 2011-05-12 US disclosed
US-20100286409-A1 SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286409-A1 SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20090197936-A1 SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE NOVARTIS AG (CH) 2009-08-06 US disclosed
US-20090197936-A1 SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE NOVARTIS AG (CH) 2009-08-06 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 (3 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-20090197936-A1 SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE HTR3E, HTR3A, HTR3C HDAC1 1483/4885HDAC2 798/4885HDAC3 544/4885
US-20110112308-A1 Salts of N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide HTR3E, HTR3A, HTR3C HDAC1 1483/4885HDAC2 798/4885HDAC3 544/4885
US-20100286409-A1 SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE HTR3E, HTR3A, HTR3C HDAC1 1483/4885HDAC2 798/4885HDAC3 544/4885

“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.