SCHEMBL1595098

SCHEMBL1595098

CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.59
HDAC4 P56524 4/20 0.59
HDAC3 O15379 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
NCOR2 Q9Y618 2/20 0.59
GCGR P47871 1/20 0.48
SLC16A3 O15427 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MALT1 Q9UDY8 1/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
SLC16A1 P53985 1/20 0.44
MCTS1 Q9ULC4 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
SCHEMBL1594817 0.89 FYN (0.49) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL1594601 0.86 HDAC4 (0.52) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL1593861 0.85 HDAC4 (0.51) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL1594273 0.84 HDAC4 (0.53) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL1594984 0.84 HDAC4 (0.53) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL1594248 0.84 HDAC3 (0.46) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL1594789 0.81 PTGS1 (0.65) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL1593764 0.81 HDAC3 (0.43) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL1594460 0.81 RAB9A (0.66) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL1594558 0.79 RAB9A (0.60) HDAC6HDAC4HDAC3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465850-B1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2016-11-23 EP disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
EP-1989185-B1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS INC (US) 2013-05-22 EP disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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-20100317648-A1 THERAPEUTIC COMPOUNDS MAOB, MAOA, HTR1B HDAC6 611/4885HDAC4 830/4885HDAC3 861/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B HDAC6 741/4885HDAC4 689/4885HDAC3 555/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B HDAC6 611/4885HDAC4 830/4885HDAC3 861/4885

“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.