SCHEMBL4259239

SCHEMBL4259239

COc1cc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 18/20 0.59
AKR1C1 Q04828 18/20 0.59
MAPT P10636 1/20 0.55
MYB P10242 1/20 0.52

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
SCHEMBL4259496 0.87 MAPT (0.50) AKR1C3AKR1C1MAPTMYB
SCHEMBL4249281 0.84 POLB (0.62) MAPTMYB
SCHEMBL4256898 0.84 MAPT (0.64) AKR1C3AKR1C1MAPTMYB
SCHEMBL4249636 0.82 POLB (0.54) MAPTMYB
SCHEMBL4256935 0.81 KDM4E (0.47) AKR1C3AKR1C1MAPTMYB
SCHEMBL4253805 0.81 SMN1; SMN2 (0.45) MAPTMYB
SCHEMBL4254624 0.81 KMT2A (0.51) MAPTMYB
SCHEMBL4252566 0.81 POLB (0.55) MAPTMYB
SCHEMBL4256343 0.81 MYB (0.61) MAPTMYB
SCHEMBL4256982 0.79 MYB (0.61) MAPTMYB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349864-B2 Pyrano [3,2-C] pyridones and related heterocyclic compounds as pharmaceutical agents for treating disorders responsive to apoptosis, antiproliferation or vascular disruption, and the use thereof NEW MEXICO TECHNICAL RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-8349864-B2 Pyrano [3,2-C] pyridones and related heterocyclic compounds as pharmaceutical agents for treating disorders responsive to apoptosis, antiproliferation or vascular disruption, and the use thereof NEW MEXICO TECHNICAL RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-8349864-B2 Pyrano [3,2-C] pyridones and related heterocyclic compounds as pharmaceutical agents for treating disorders responsive to apoptosis, antiproliferation or vascular disruption, and the use thereof NEW MEXICO TECHNICAL RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-20090247566-A1 Pyrano [3,2-C] Pyridones and Related Heterocyclic Compounds as Pharmaceutical Agents for Treating Disorders Responsive to Apoptosis, Antiproliferation or Vascular Disruption, and the Use Thereof NEW MEXICO TECHNICAL RESEARCH FOUNDATION 2009-10-01 US disclosed
US-20090247566-A1 Pyrano [3,2-C] Pyridones and Related Heterocyclic Compounds as Pharmaceutical Agents for Treating Disorders Responsive to Apoptosis, Antiproliferation or Vascular Disruption, and the Use Thereof NEW MEXICO TECHNICAL RESEARCH FOUNDATION 2009-10-01 US disclosed
US-20090247566-A1 Pyrano [3,2-C] Pyridones and Related Heterocyclic Compounds as Pharmaceutical Agents for Treating Disorders Responsive to Apoptosis, Antiproliferation or Vascular Disruption, and the Use Thereof NEW MEXICO TECHNICAL RESEARCH FOUNDATION 2009-10-01 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-20090247566-A1 Pyrano [3,2-C] Pyridones and Related Heterocyclic Compounds as Pharmaceutical Agents for Treating Disorders Responsive to Apoptosis, Antiproliferation or Vascular Disruption, and the Use Thereof BAX, CASP3, CASP7 AKR1C3 520/4885AKR1C1 695/4885MAPT 3099/4885

“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.