SCHEMBL4256935

SCHEMBL4256935

COc1cc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccc([N+](=O)[O-])cc32)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MYB P10242 3/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.46
AKR1C3 P42330 6/20 0.46
AKR1C1 Q04828 6/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TLR4 O00206 3/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4249715 0.94 TUBB4A (0.49) KDM4EMYBALDH1A1LMNARAB9A
SCHEMBL4249281 0.85 POLB (0.62) KDM4EMYBALDH1A1LMNARAB9A
SCHEMBL4252508 0.82 TUBB4A (0.53) KDM4EMYBALDH1A1LMNARAB9A
SCHEMBL4259239 0.81 AKR1C3 (0.59) MYBAKR1C3AKR1C1MAPT
SCHEMBL4252566 0.79 POLB (0.55) KDM4EMYBALDH1A1LMNARAB9A
SCHEMBL4256343 0.79 MYB (0.61) KDM4EMYBALDH1A1POLBMEN1
SCHEMBL4259496 0.75 MAPT (0.50) KDM4EMYBALDH1A1AKR1C3AKR1C1
SCHEMBL4249750 0.74 MYB (0.50) KDM4EMYBLMNAPOLBMEN1
SCHEMBL4256898 0.74 MAPT (0.64) KDM4EMYBALDH1A1AKR1C3AKR1C1
SCHEMBL4252482 0.73 ALDH1A1 (0.71) KDM4EALDH1A1LMNARAB9APOLB

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 KDM4E 3525/4885MYB 3543/4885ALDH1A1 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.