SCHEMBL454828

SCHEMBL454828

O=C1NC(=O)c2c1cccc2N1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
GSK3B P49841 1/20 0.48
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NR1H3 Q13133 4/20 0.42
NR1H2 P55055 4/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP1 P29466 1/20 0.41
PARP1 P09874 1/20 0.41
LMNA P02545 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
SCHEMBL29010702 0.85 CES1 (0.53) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL11229952 0.82 TLR9 (0.50) POLBGSK3BMEN1KMT2ACASP3
SCHEMBL29410213 0.80 CYP3A4 (0.45) POLBGSK3BMEN1KMT2ANR1H3
SCHEMBL4649466 0.76 POLB (0.65) POLBMEN1KMT2ANR1H3NR1H2
SCHEMBL28871744 0.75 GSK3B (0.44) POLBGSK3BMEN1KMT2ACASP3
SCHEMBL16754925 0.74 GSK3B (0.62) POLBGSK3BMEN1KMT2ACASP3
SCHEMBL2403872 0.71 POLB (0.51) POLBMEN1KMT2ANR1H3NR1H2
Hydrochloric Acid SCHEMBL15282882 0.71 MAPT (0.55) POLBGSK3BMEN1KMT2ACASP3
SCHEMBL135332 0.69 GSK3B (0.56) POLBGSK3BMEN1KMT2ACASP3
SCHEMBL11860388 0.69 ADORA2A (0.62) POLBMEN1KMT2ANR1H3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017081676-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER PHARMATWOB (IL) 2017-05-18 WO claimed
WO-2017081676-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER PHARMATWOB (IL) 2017-05-18 WO disclosed
US-20130216608-A1 Airway Administration of Angiogenesis Inhibitors TRIFOILIUM APS (DK) 2013-08-22 US disclosed
EP-2613773-A2 AIRWAY ADMINISTRATION OF ANGIOGENESIS INHIBITORS Trifoilium ApS (DK) 2013-07-17 EP disclosed
US-20130101688-A1 HERBAL COMPOSITION PHY906 AND ITS USE IN CHEMOTHERAPY YALE UNIVERSITY (US) 2013-04-25 US disclosed
WO-2012031603-A2 AIRWAY ADMINISTRATION OF ANGIOGENESIS INHIBITORS DANISH MEDICAL CONSULTS APS (DK) 2012-03-15 WO disclosed
US-7534455-B2 Herbal composition PHY906 and its use in chemotherapy YALE UNIVERSITY (US) 2009-05-19 US disclosed
EP-1812028-A2 HERBAL COMPOSITION PHY906 AND ITS USE IN CHEMOTHERAPY YALE UNIVERSITY (US) 2007-08-01 EP disclosed
WO-2006053049-A2 HERBAL COMPOSITION PHY906 AND ITS USE IN CHEMOTHERAPY YALE UNIVERSITY (US) 2006-05-18 WO disclosed
US-20050196473-A1 Herbal composition PHY906 and its use in chemotherapy KADMON CORPORATION, LLC 2005-09-08 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 (1 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-20130216608-A1 Airway Administration of Angiogenesis Inhibitors VEGFA, SERPINB1, MMP1 POLB 570/4885GSK3B 2790/4885MEN1 2260/4885

“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.