SCHEMBL8738882

SCHEMBL8738882

CC(NNC(=O)c1ccncc1)=C1C=Cc2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 4/20 0.43
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL17483824 1.00 TP53 (0.50) TP53ALDH1A1L3MBTL1LMNAGAA
SCHEMBL2992794 0.74 TP53 (0.57) TP53ALDH1A1L3MBTL1LMNAGAA
SCHEMBL2992791 0.74 TP53 (0.57) TP53ALDH1A1L3MBTL1LMNAGAA
SCHEMBL2995405 0.71 TP53 (0.53) TP53ALDH1A1L3MBTL1GAACA1
SCHEMBL2995404 0.71 TP53 (0.53) TP53ALDH1A1L3MBTL1GAACA1
SCHEMBL2993893 0.71 TP53 (0.60) TP53ALDH1A1L3MBTL1LMNAGAA
SCHEMBL2986200 0.70 ALDH1A1 (0.83) TP53ALDH1A1L3MBTL1GAACA1
SCHEMBL2992964 0.70 ALDH1A1 (1.00) TP53ALDH1A1L3MBTL1LMNAGAA
SCHEMBL1415953 0.69 TP53 (1.00) TP53ALDH1A1L3MBTL1LMNAGAA
SCHEMBL13381492 0.67 ALDH1A1 (0.76) TP53ALDH1A1L3MBTL1GAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 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 (2 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-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR TP53 356/4885ALDH1A1 1615/4885L3MBTL1 2769/4885
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR TP53 356/4885ALDH1A1 1615/4885L3MBTL1 2769/4885

“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.