SCHEMBL4249715

SCHEMBL4249715

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.49
TUBB P07437 3/20 0.49
TUBA3C P0DPH7 3/20 0.49
TUBA1B P68363 3/20 0.49
TUBA4A P68366 3/20 0.49
TUBB4B P68371 3/20 0.49
TUBB3 Q13509 3/20 0.49
TUBB2A Q13885 3/20 0.49
TUBB8 Q3ZCM7 3/20 0.49
TUBA3E Q6PEY2 3/20 0.49
TUBA1A Q71U36 3/20 0.49
TUBA1C Q9BQE3 3/20 0.49
TUBB6 Q9BUF5 3/20 0.49
TUBB2B Q9BVA1 3/20 0.49
TUBB1 Q9H4B7 3/20 0.49
MYB P10242 4/20 0.44
AKR1C3 P42330 4/20 0.43
AKR1C1 Q04828 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4256935 0.94 KDM4E (0.47) MYBAKR1C3AKR1C1ALDH1A1MEN1
SCHEMBL4252508 0.89 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4252566 0.86 POLB (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4249281 0.80 POLB (0.62) MYBALDH1A1MEN1KMT2AKDM4E
SCHEMBL4259496 0.79 MAPT (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4249750 0.79 MYB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4259239 0.78 AKR1C3 (0.59) MYBAKR1C3AKR1C1MAPT
SCHEMBL4256343 0.76 MYB (0.61) MYBALDH1A1MEN1KMT2AKDM4E
SCHEMBL4256982 0.76 MYB (0.61) MYBALDH1A1MEN1KMT2AMAPT
SCHEMBL4249744 0.76 ALDH1A1 (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 TUBB4A 2993/4885TUBB 2694/4885TUBA3C 2704/4885

“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.