SCHEMBL2358591

SCHEMBL2358591

CC(C)(C)c1ccc(C(N)=NO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.51
KLF5 Q13887 1/20 0.51
NOD1 Q9Y239 1/20 0.51
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
SLC22A3 O75751 1/20 0.50
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.45
LMNA P02545 3/20 0.44
TYR P14679 1/20 0.44
SRD5A2 P31213 1/20 0.44
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43

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
SCHEMBL2358589 1.00 TNF (0.51) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL13845190 0.85 GAA (0.44) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL13153889 0.85 GAA (0.44) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL13798821 0.83 HDAC3 (0.65) RAB9ALMNAKMT2ANPC1MEN1
SCHEMBL4966428 0.83 HDAC3 (0.65) RAB9ALMNAKMT2ANPC1MEN1
SCHEMBL2323974 0.83 GAA (0.43) TNFKLF5NOD1RAB9AGAA
SCHEMBL2323978 0.83 GAA (0.43) TNFKLF5NOD1RAB9AGAA
SCHEMBL14339587 0.83 TNF (0.51) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL21215222 0.81 KDM1A (0.60) RAB9AGAAKDM1AHDAC1LMNA
SCHEMBL2327864 0.80 PDE2A (0.46) TNFKLF5NOD1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514790-A Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof 华东师范大学 2023-08-01 CN disclosed
US-11001594-B2 Heterocyclic modulators of HIF activity for treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-11 US disclosed
US-20190270753-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE UNIV TEXAS (US) 2019-09-05 US disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10208059-B2 Heterocyclic modulators of HIF activity for treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-02-19 US disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
EP-2888255-B1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE UNIV TEXAS (US) 2018-07-18 EP disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
US-20170121342-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2017-05-04 US disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
US-7772265-B2 2-oxadiazolechromone derivatives MERCK PATENT GMBH (DE) 2010-08-10 US disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
US-20080182879-A1 2-OXADIAZOLECHROMONE DERIVATIVES MUJICA-FERNAUD TERESA 2008-07-31 US disclosed
US-7354945-B2 2-oxadiazolechromone derivatives MERCK PATENT GMBH (DE) 2008-04-08 US disclosed
US-20040138464-A1 2-Oxadiazolechromone derivatives MERCK PATENT GMBH (DE) 2004-07-15 US disclosed
EP-1426372-A1 2-Oxadiazolechromone derivatives MERCK PATENT GmbH (DE) 2004-06-09 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 (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-20080182879-A1 2-OXADIAZOLECHROMONE DERIVATIVES HSPE1, DAPK2, HSPB1 TNF 3425/4885KLF5 3332/4885NOD1 3223/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 TNF 2328/4885KLF5 1358/4885NOD1 1858/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 TNF 2328/4885KLF5 1358/4885NOD1 1858/4885
US-20190270753-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 TNF 4055/4885KLF5 1197/4885NOD1 3593/4885
US-10208059-B2 Heterocyclic modulators of HIF activity for treatment of disease HIF1AN, HIF1A, EGLN3 TNF 4055/4885KLF5 1197/4885NOD1 3593/4885
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use VHL, HIF1AN, HIF1A TNF 3440/4885KLF5 544/4885NOD1 3258/4885
US-11001594-B2 Heterocyclic modulators of HIF activity for treatment of disease HIF1AN, HIF1A, EGLN3 TNF 4055/4885KLF5 1197/4885NOD1 3593/4885
US-20040138464-A1 2-Oxadiazolechromone derivatives ROS1, BRCA1, DAPK2 TNF 3342/4885KLF5 3338/4885NOD1 3052/4885
US-20170121342-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 TNF 4055/4885KLF5 1197/4885NOD1 3593/4885

“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.