Panobinostat

Panobinostat

SCHEMBL2315056

CC(O)C(=O)O.Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9

The experimentally established mechanism targets of Panobinostat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 known ✓ Q13547 20/20 0.87
HDAC2 known ✓ Q92769 12/20 0.87
HDAC3 known ✓ O15379 12/20 0.87
HDAC6 known ✓ Q9UBN7 3/20 0.87
HDAC8 known ✓ Q9BY41 3/20 0.87
HDAC4 known ✓ P56524 2/20 0.87
HDAC7 known ✓ Q8WUI4 1/20 0.87
HDAC10 known ✓ Q969S8 1/20 0.87
HDAC11 known ✓ Q96DB2 1/20 0.87
HDAC9 known ✓ Q9UKV0 1/20 0.87
HDAC5 known ✓ Q9UQL6 1/20 0.87
NCOR2 Q9Y618 10/20 0.87
TET3 O43151 1/20 0.87
BRD4 O60885 1/20 0.87
FOXO1 Q12778 1/20 0.87
TET2 Q6N021 1/20 0.87
PIK3C3 Q8NEB9 1/20 0.87
TET1 Q8NFU7 1/20 0.87
KCNH2 Q12809 5/20 0.70

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
Panobinostat SCHEMBL30235437 1.00 HDAC1 (0.87) HDAC1HDAC2HDAC3NCOR2HDAC6
Panobinostat SCHEMBL2315067 1.00 HDAC1 (0.87) HDAC1HDAC2HDAC3NCOR2HDAC6
Panobinostat SCHEMBL29358399 1.00 HDAC1 (0.87) HDAC1HDAC2HDAC3NCOR2HDAC6
Panobinostat SCHEMBL2316088 0.99 HDAC1 (0.86) HDAC1HDAC2HDAC3NCOR2HDAC6
Panobinostat SCHEMBL2316081 0.99 HDAC1 (0.86) HDAC1HDAC2HDAC3NCOR2HDAC6
Panobinostat SCHEMBL183197 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
Panobinostat SCHEMBL164801 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
Panobinostat SCHEMBL22773814 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
Panobinostat SCHEMBL20165843 0.93 HDAC1 (0.98) HDAC1HDAC2HDAC3NCOR2HDAC6
Panobinostat SCHEMBL436875 0.93 HDAC1 (0.98) HDAC1HDAC2HDAC3NCOR2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018092151-A1 PROCESS FOR THE PREPARATION OF 2-(E)-N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL) ETHYL]AMINO]METHYL]PHENYL]-2-PROPENAMIDE 2-HYDROXYPROPANOIC ACID (1:1) AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-24 WO claimed
EP-4378476-A1 MEDICAMENT FOR TREATMENT AND/OR PREVENTION OF CANCER Toray Industries, Inc. (JP) 2024-06-05 EP disclosed
WO-2023008459-A1 MEDICAMENT FOR TREATMENT AND/OR PREVENTION OF CANCER 東レ株式会社 2023-02-02 WO disclosed
CN-106866491-B Panobinostat lactate crystal form I and preparation method and application thereof 江苏豪森药业集团有限公司 2021-12-10 CN disclosed
CN-106866492-B Panobinostat lactate crystal form II and preparation method and application thereof 江苏豪森药业集团有限公司 2021-11-26 CN disclosed
WO-2018092151-A1 PROCESS FOR THE PREPARATION OF 2-(E)-N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL) ETHYL]AMINO]METHYL]PHENYL]-2-PROPENAMIDE 2-HYDROXYPROPANOIC ACID (1:1) AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-24 WO disclosed
EP-2032532-B1 Process for making salts of N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide NOVARTIS AG (CH) 2015-04-22 EP disclosed
US-7989639-B2 Process for making salts of N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090187029-A1 PROCESS FOR MAKING SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE PHARMA& SCHWEIZ GMBH (CH) 2009-07-23 US disclosed
EP-2032532-A2 PROCESS FOR MAKING SALTS OF N-HYDROXY-3-Ý4-ÝÝÝ2-(2-METHYL-1H-INDOL-3-YL)ETHYL¨AMINO¨METHYL¨PHENYL¨-2E-2-PROPENAMIDE Novartis AG (CH) 2009-03-11 EP disclosed
WO-2007146717-A2 PROCESS FOR MAKING SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE NOVARTIS AG (CH) 2007-12-21 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-20090187029-A1 PROCESS FOR MAKING SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE HTR3E, HTR3A, PNMT HDAC1 3327/4885HDAC2 1813/4885HDAC3 1679/4885

“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.