SCHEMBL2245346

SCHEMBL2245346

O=C(Cl)c1ccc2nc3c4nc5cc(C(=O)Cl)ccc5nc4c4nc5cc(C(=O)Cl)ccc5nc4c3nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
CDH1 P12830 1/20 0.45
APC P25054 1/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
HPGD P15428 8/20 0.44
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
RAB9A P51151 6/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
THRB P10828 2/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL12355762 1.00 TDP1 (0.48) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL12355830 0.93 TDP1 (0.61) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL1162363 0.86 CDH1 (0.47) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL12355834 0.83 RAB9A (0.40) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL12365622 0.83 RAB9A (0.37) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL2251523 0.81 TDP1 (0.71) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL2251936 0.81 TDP1 (0.71) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL18995950 0.78 TDP1 (0.57) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL5007899 0.76 ALDH1A1 (0.46) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL10584287 0.76 ALDH1A1 (0.46) TDP1CDH1APCCTNNB1TCF7L2

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-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 US disclosed
WO-2005123737-A9 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF TY OF ARIZONA ARIZONA BOARD OF (US) 2006-04-06 WO disclosed
WO-2005123737-A2 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-12-29 WO 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-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC9A3, SLC18A2, SLC9A2 TDP1 1229/4885CDH1 98/4885APC 2226/4885

“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.