SCHEMBL4728317

SCHEMBL4728317

O=C(O)c1cccc2c1C(=O)N(c1ccccc1)C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.73
TDP1 Q9NUW8 2/20 0.73
KDM4E B2RXH2 1/20 0.73
ESR1 P03372 1/20 0.73
NR4A1 P22736 1/20 0.73
APEX1 P27695 1/20 0.73
PTPN7 P35236 1/20 0.73
RECQL P46063 1/20 0.73
BLM P54132 1/20 0.73
MCL1 Q07820 1/20 0.73
ESR2 Q92731 1/20 0.73
HSD17B10 Q99714 1/20 0.73
PARP1 P09874 9/20 0.58
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.50
ALOX15 P16050 1/20 0.50
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL16907880 0.88 POLB (0.70) POLBTDP1KDM4EESR1NR4A1
SCHEMBL835316 0.86 PARP1 (0.79) POLBTDP1KDM4EESR1NR4A1
SCHEMBL16907926 0.85 POLB (0.56) POLBTDP1KDM4EESR1NR4A1
SCHEMBL2116520 0.85 POLB (1.00) POLBTDP1KDM4EESR1NR4A1
SCHEMBL22129205 0.85 POLB (0.66) POLBTDP1KDM4EESR1NR4A1
SCHEMBL16907925 0.84 POLB (0.65) POLBTDP1KDM4EESR1NR4A1
SCHEMBL16907881 0.80 KDM4E (0.50) POLBTDP1KDM4EESR1NR4A1
SCHEMBL1468413 0.79 NPC1 (0.59) POLBTDP1KDM4EESR1NR4A1
SCHEMBL12714894 0.78 NPC1 (0.57) POLBTDP1KDM4EESR1NR4A1
SCHEMBL835757 0.78 PARP1 (0.74) POLBTDP1KDM4EESR1NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015106272-A1 SMALL MOLECULE INHIBITORS OF APOBEC3G AND APOBEC3B HARKI DANIEL A (US) 2015-07-16 WO disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
WO-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 WO disclosed
WO-2008029168-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 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-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA POLB 108/4885TDP1 96/4885KDM4E 1984/4885

“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.