SCHEMBL4256898

SCHEMBL4256898

COc1cc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
GAA P10253 3/20 0.64
POLB P06746 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 2/20 0.51
ALPG P10696 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C1 Q04828 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MYB P10242 7/20 0.50
TLR4 O00206 3/20 0.48
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4249636 0.93 POLB (0.54) MAPTGAAPOLBTDP1L3MBTL1
SCHEMBL4249281 0.88 POLB (0.62) MAPTGAAPOLBTDP1L3MBTL1
SCHEMBL4256982 0.87 MYB (0.61) MAPTGAAPOLBTDP1L3MBTL1
SCHEMBL4259496 0.87 MAPT (0.50) MAPTGAAPOLBTDP1L3MBTL1
SCHEMBL4252566 0.84 POLB (0.55) MAPTGAAPOLBTDP1L3MBTL1
SCHEMBL4259239 0.84 AKR1C3 (0.59) MAPTAKR1C3AKR1C1MYB
SCHEMBL4254591 0.83 TP53 (0.54) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL4259180 0.83 MAPT (0.49) MAPTGAAPOLBTDP1L3MBTL1
SCHEMBL4253805 0.82 SMN1; SMN2 (0.45) MAPTGAAPOLBTDP1L3MBTL1
SCHEMBL4249301 0.82 MAPT (0.63) MAPTGAAPOLBTDP1ALDH1A1

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 2 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-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 MAPT 3099/4885GAA 3043/4885POLB 2359/4885

“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.