SCHEMBL13655416

SCHEMBL13655416

CCOc1c(Br)cc(C2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 6/20 0.59
LMNA P02545 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 4/20 0.56
TSHR P16473 2/20 0.54
MYB P10242 1/20 0.53
HSD17B10 Q99714 4/20 0.53
CASP1 P29466 3/20 0.53
CASP7 P55210 3/20 0.53
HPGD P15428 2/20 0.53
GLA P06280 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
TUBB4A P04350 1/20 0.47

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
SCHEMBL4249744 0.92 ALDH1A1 (0.63) GAAHTTALDH1A1KDM4ELMNA
SCHEMBL4255290 0.87 ALDH1A1 (0.59) GAAHTTALDH1A1KDM4ELMNA
SCHEMBL4252482 0.87 ALDH1A1 (0.71) GAAHTTALDH1A1KDM4ELMNA
SCHEMBL4256334 0.86 ALDH1A1 (0.61) GAAHTTALDH1A1KDM4ELMNA
SCHEMBL4255026 0.76 KDM4E (0.63) GAAHTTALDH1A1KDM4ELMNA
SCHEMBL4252368 0.75 ALDH1A1 (0.62) GAAHTTALDH1A1KDM4ELMNA
SCHEMBL4254602 0.74 MYB (0.55) GAAHTTKDM4ERAB9AKMT2A
SCHEMBL4256811 0.74 KDM4E (0.62) GAAHTTALDH1A1KDM4ELMNA
SCHEMBL4252566 0.73 POLB (0.55) GAAHTTALDH1A1KDM4ELMNA
SCHEMBL4252539 0.73 ALDH1A1 (0.82) GAAHTTALDH1A1KDM4ELMNA

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 5 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

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 GAA 3043/4885HTT 4157/4885ALDH1A1 1888/4885

“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.