SCHEMBL2439422

SCHEMBL2439422

COc1ccccc1-c1nnc(C(F)(F)c2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
LMNA P02545 4/20 0.42
TP53 P04637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
ALDH1A1 P00352 3/20 0.40
ADORA3 P0DMS8 4/20 0.40
ABCB1 P08183 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
GUSB P08236 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4312001 0.90 ABCG2 (0.42) KDM4ELMNATP53TDP1ALOX15
SCHEMBL8233506 0.86 ADORA3 (0.44) KDM4ELMNATDP1ALOX15SMN1; SMN2
SCHEMBL2438603 0.86 LMNA (0.41) KDM4ELMNATP53TDP1ALOX15
SCHEMBL8227408 0.86 CTSS (0.40) KDM4ELMNATP53TDP1ALOX15
SCHEMBL2437475 0.83 LMNA (0.42) KDM4ELMNATP53TDP1ALOX15
SCHEMBL4948945 0.83 KDM4E (0.43) KDM4ELMNATP53TDP1ALOX15
SCHEMBL2439096 0.83 KMT2A (0.45) KDM4ELMNATP53TDP1ALOX15
SCHEMBL2438868 0.76 GUSB (0.45) KDM4ELMNATP53TDP1ALOX15
SCHEMBL13985027 0.71 ADORA3 (0.51) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL2686893 0.70 HDAC1 (0.54) TP53KMT2ASMN1; SMN2MEN1ALDH1A1

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
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 EP claimed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 US claimed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US claimed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US claimed
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 EP disclosed
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 EP disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 US disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 US disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 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 (2 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-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs HDAC1, HDAC3, HDAC5 KDM4E 97/4885LMNA 2232/4885TP53 139/4885
US-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 KDM4E 202/4885LMNA 3103/4885TP53 1272/4885

“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.