SCHEMBL2686342

SCHEMBL2686342

O=Cc1ccc(C(=O)Nc2ccccc2NC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
F10 P00742 1/20 0.50
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
MDM4 O15151 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
SNCA P37840 1/20 0.48
NCOR2 Q9Y618 1/20 0.47
DHODH Q02127 1/20 0.47
TERT O14746 1/20 0.47

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
SCHEMBL2732773 0.85 HPGD (0.70) KMT2AMEN1POLBHPGDMAPK1
SCHEMBL4061093 0.83 NPC1 (0.66) KMT2AMEN1POLBHDAC1TP53
SCHEMBL4898030 0.83 PTPN1 (0.52) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL8349329 0.82 HDAC1 (0.70) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL2882845 0.81 KMT2A (0.59) KMT2AMEN1POLBHPGDF10
SCHEMBL363882 0.81 PTPN1 (0.67) KMT2AMEN1POLBHDAC1HDAC3
SCHEMBL16589415 0.80 NR1H4 (0.48) KMT2AMEN1HPGDF10TP53
SCHEMBL7545166 0.80 NPC1 (0.71) KMT2APOLBHPGDALDH1A1NPC1
SCHEMBL1705539 0.79 HDAC1 (0.61) KMT2AMEN1POLBHPGDF10
SCHEMBL22640298 0.78 MLYCD (0.64) KMT2AMEN1HPGDF10HDAC1

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
US-20200087314-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2020-03-19 US disclosed
EP-3558947-A2 HISTONE DEACETYLASE INHIBITORS BioMarin Pharmaceutical Inc. (US) 2019-10-30 EP disclosed
WO-2018119362-A2 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICALS INC. (US) 2018-06-28 WO disclosed
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 EP disclosed
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
EP-1991226-A2 INHIBITORS OF HISTONE DEACETYLASE Merck & Co., Inc. (US) 2008-11-19 EP disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 WO disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 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-20200087314-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 KMT2A 68/4885MEN1 4476/4885POLB 1919/4885
US-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 KMT2A 132/4885MEN1 1043/4885POLB 3143/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 KMT2A 52/4885MEN1 2635/4885POLB 488/4885
US-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 KMT2A 60/4885MEN1 2325/4885POLB 3180/4885

“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.