SCHEMBL3454347

SCHEMBL3454347

Nc1ccc(CNC(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.70
HDAC1 Q13547 6/20 0.70
EPHX2 P34913 2/20 0.67
HDAC2 Q92769 4/20 0.62
HDAC8 Q9BY41 3/20 0.62
ERCC1 P07992 1/20 0.61
ERCC4 Q92889 1/20 0.61
NR1H4 Q96RI1 1/20 0.61
HDAC3 O15379 3/20 0.60
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
HPGD P15428 1/20 0.58
CA2 P00918 1/20 0.58
TP53 P04637 1/20 0.57
LMNA P02545 1/20 0.57
RAB9A P51151 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
Succinic Acid SCHEMBL11587387 0.94 HDAC1 (0.62) HDAC6HDAC1EPHX2HDAC2HDAC8
SCHEMBL6737728 0.93 HDAC6 (0.72) HDAC6HDAC1EPHX2HDAC2HDAC8
SCHEMBL12604611 0.91 EPHX2 (0.78) HDAC6HDAC1EPHX2HDAC2HDAC8
SCHEMBL18868425 0.91 EPHX2 (0.78) HDAC6HDAC1EPHX2HDAC2HDAC8
SCHEMBL4981515 0.90 EPHX2 (0.77) HDAC6HDAC1EPHX2HDAC2HDAC8
Hydrochloric Acid SCHEMBL30918901 0.89 EPHX2 (0.76) HDAC6HDAC1EPHX2HDAC2HDAC8
SCHEMBL457082 0.87 HDAC6 (0.79) HDAC6HDAC1EPHX2HDAC2HDAC8
SCHEMBL28839185 0.86 HDAC6 (0.70) HDAC6HDAC1EPHX2HDAC2HDAC8
SCHEMBL21454774 0.86 HDAC6 (0.75) HDAC6HDAC1EPHX2HDAC2HDAC8
Hydrochloric Acid SCHEMBL3757721 0.85 HDAC6 (0.76) HDAC6HDAC1EPHX2HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029997-B2 Compositions and methods for treating cancers CEDARS-SINAI MEDICAL CENTER (US) 2018-07-24 US disclosed
WO-2017175238-A1 HIGHLY CHEMOSELECTIVE REACTIONS IN PRESENCE OF AROMATIC AMINO GROUPS NEON LABORATORIES LIMITED (IN) 2017-10-12 WO disclosed
US-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS CEDARS-SINAI MEDICAL CENTER (US) 2017-05-04 US disclosed
US-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS CEDARS-SINAI MEDICAL CENTER (US) 2017-05-04 US disclosed
CN-105899496-A OXAZOLIDINONE DERIVATIVES AS PPAR LIGANDS 安达卢西亚健康服务部 2016-08-24 CN disclosed
CN-104478780-A Acylpyrrole small-molecular organic compound, derivatives of organic compound as well as application and preparation method of acylpyrrole small-molecular organic compound and derivatives of organic compound UNIV EAST CHINA NORMAL 2015-04-01 CN disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
CN-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 CN disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 CN disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP 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-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS GSK3B, HDAC1, HDAC3 HDAC6 6/4885HDAC1 2/4885EPHX2 1891/4885
US-10029997-B2 Compositions and methods for treating cancers HDAC3, HDAC1, GSK3B HDAC6 5/4885HDAC1 2/4885EPHX2 1823/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 HDAC6 1564/4885HDAC1 1837/4885EPHX2 4458/4885

“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.