SCHEMBL300144

SCHEMBL300144

O=[N+]([O-])c1ccc(NCc2cccs2)c2nonc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.67
KMT2A Q03164 9/20 0.67
HTT P42858 2/20 0.67
USP2 O75604 1/20 0.67
RECQL P46063 1/20 0.67
MIF P14174 1/20 0.63
GSTM2 P28161 1/20 0.55
MYC P01106 5/20 0.54
IDO1 P14902 4/20 0.54
PKM P14618 1/20 0.54
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH3 Q9Y5N1 2/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PSMD14 O00487 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAX P61244 1/20 0.46

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
SCHEMBL443977 0.81 MEN1 (1.00) MEN1KMT2AHTTUSP2RECQL
SCHEMBL10036668 0.78 MIF (1.00) MEN1KMT2AHTTUSP2RECQL
SCHEMBL9698843 0.77 PKM (0.63) MEN1KMT2AHTTPKMPOLB
SCHEMBL8788860 0.77 MEN1 (0.67) MEN1KMT2AHTTUSP2RECQL
SCHEMBL17781757 0.77 MEN1 (0.67) MEN1KMT2AHTTUSP2RECQL
SCHEMBL25343177 0.76 MEN1 (0.77) MEN1KMT2AHTTUSP2RECQL
SCHEMBL12818156 0.76 GSTM2 (0.70) MEN1KMT2AHTTUSP2RECQL
SCHEMBL19387685 0.75 GSTM2 (0.68) MEN1KMT2AHTTUSP2RECQL
SCHEMBL21239902 0.75 GSTM2 (0.68) MEN1KMT2AHTTUSP2RECQL
SCHEMBL8429536 0.75 GSTM2 (0.68) MEN1KMT2AHTTUSP2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US claimed
US-8653111-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US claimed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 US claimed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-28 US disclosed
US-8987261-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8653111-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8389520-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-05 US disclosed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 US disclosed
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 US disclosed
EP-2427442-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
WO-2010128156-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 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 (6 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-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION TENT4B, IRF3, MAVS MEN1 4597/4885KMT2A 1674/4885HTT 4016/4885
US-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK MEN1 3430/4885KMT2A 1437/4885HTT 2631/4885
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK MEN1 3430/4885KMT2A 1437/4885HTT 2631/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS MEN1 2510/4885KMT2A 1588/4885HTT 2556/4885
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK MEN1 3430/4885KMT2A 1437/4885HTT 2631/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK MEN1 3430/4885KMT2A 1437/4885HTT 2631/4885

“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.