SCHEMBL14948852

SCHEMBL14948852

COCCC(=O)Nc1cccc(C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC4 P56524 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
NCOR2 Q9Y618 1/20 0.62
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL259181 0.84 MEN1 (0.64) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL6579498 0.84 MAPK1 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13841456 0.84 MAPK1 (0.60) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL3217401 0.83 GAA (0.65) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL13994594 0.82 HDAC3 (0.69) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14679379 0.82 HDAC3 (0.69) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2971345 0.82 MAPT (0.52) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14405815 0.82 MAPT (0.68) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL3469024 0.82 CYP3A4 (0.67) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29292311 0.81 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC10HDAC11

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
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP disclosed
US-20180044474-A1 PROCESS TO MAKE LOW COLOR POLYETHERIMIDE BY HALO-DISPLACEMENT AND LOW COLOR POLYETHERIMIDE SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2018-02-15 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 US disclosed
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP disclosed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 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 (4 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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL HDAC3 1452/4885HDAC1 957/4885HDAC2 1015/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 HDAC3 1081/4885HDAC1 1972/4885HDAC2 1532/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR HDAC3 1368/4885HDAC1 991/4885HDAC2 1399/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 HDAC3 1081/4885HDAC1 1972/4885HDAC2 1532/4885

“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.