SCHEMBL309801

SCHEMBL309801

O=C1C=CNc2cccnc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
OTUD7B Q6GQQ9 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
ALOX15 P16050 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S100A4 P26447 1/20 0.32
CDC25B P30305 1/20 0.32
TNKS2 Q9H2K2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6787340 0.74 SMN1; SMN2 (0.41) GSK3BSMN1; SMN2CYP1A2ALDH1A1GAA
SCHEMBL31746097 0.74 SMN1; SMN2 (0.41) GSK3BSMN1; SMN2CYP1A2ALDH1A1GAA
SCHEMBL2427433 0.72 ACVR1 (0.40) GSK3BSMN1; SMN2CYP1A2GAANPC1
SCHEMBL7476995 0.71 SMN1; SMN2 (0.55) GSK3BSMN1; SMN2CYP1A2OTUD7BALDH1A1
SCHEMBL7102226 0.71
SCHEMBL8103221 0.69 GSK3B (0.50) GSK3BSMN1; SMN2CYP1A2OTUD7BALDH1A1
SCHEMBL4262434 0.68 CYP1A2 (0.38) GSK3BSMN1; SMN2CYP1A2ALDH1A1GAA
SCHEMBL4262432 0.68 CYP1A2 (0.34) GSK3BSMN1; SMN2CYP1A2ALDH1A1GAA
SCHEMBL626994 0.67 GSK3B (0.49) GSK3BSMN1; SMN2CYP1A2OTUD7BALDH1A1
SCHEMBL15326919 0.66 GSK3B (0.47) GSK3BSMN1; SMN2CYP1A2OTUD7BALDH1A1

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2023-03-30 US disclosed
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US disclosed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 US disclosed
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2017-01-26 US disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-7067551-B2 Deacetylase inhibitors NOVARTIS AG (CH) 2006-06-27 US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed
US-20050085507-A1 p-phenylethenyl hydroxamates; anticarcinogenic, antitumor, antiproliferative agents; regulating p21 promoter; improved stability SECURA BIO, INC. 2005-04-21 US disclosed
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2005-02-10 US disclosed
US-6833384-B2 E. g., N-Hydroxy-3-(4-(((2-(1H-indol-3-yl)-ethyl)amino)-amino)methyl)-phenyl)-2E-2 -propenamide; histone deacetylase inhibitors; antiproliferative agents; antitumor agents; anticarcinogenic agents NOVARTIS AG (CH) 2004-12-21 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 WO disclosed
US-20040024067-A1 Deacetylase inhibitors ATHYRIUM OPPORTUNITIES III ACQUISITION LP 2004-02-05 US disclosed
US-6552065-B2 Antiproliferative agents NOVARTIS AG (CH) 2003-04-22 US disclosed
US-20030018062-A1 Deacetylase inhibitors SECURA BIO, INC. 2003-01-23 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 (9 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-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 GSK3B 735/4885SMN1; SMN2 2901/4885CYP1A2 3649/4885
US-20050085507-A1 p-phenylethenyl hydroxamates; anticarcinogenic, antitumor, antiproliferative agents; regulating p21 promoter; improved stability TP53, CDKN1A, HDAC1 GSK3B 1360/4885SMN1; SMN2 4272/4885CYP1A2 3846/4885
US-20040024067-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 GSK3B 195/4885SMN1; SMN2 3167/4885CYP1A2 4288/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 GSK3B 283/4885SMN1; SMN2 1482/4885CYP1A2 3844/4885
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination HDAC2, HDAC9, HDAC1 GSK3B 1440/4885SMN1; SMN2 4319/4885CYP1A2 1058/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 GSK3B 261/4885SMN1; SMN2 3594/4885CYP1A2 1799/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 GSK3B 735/4885SMN1; SMN2 2901/4885CYP1A2 3649/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 GSK3B 536/4885SMN1; SMN2 3053/4885CYP1A2 3595/4885
US-20030018062-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 GSK3B 195/4885SMN1; SMN2 3167/4885CYP1A2 4288/4885

“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.