SCHEMBL12713402

SCHEMBL12713402

CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)Nc3cccc(C(=O)O)c3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.66
CTDSP1 Q9GZU7 1/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
RXFP1 Q9HBX9 2/20 0.66
LMNA P02545 1/20 0.66
POLB P06746 4/20 0.64
KDM4E B2RXH2 1/20 0.64
APEX1 P27695 1/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.54
UCK2 Q9BZX2 3/20 0.49
TP53 P04637 3/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
F2 P00734 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 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
SCHEMBL13580089 0.77 POLB (0.50) TDP1CTDSP1MEN1KMT2ARXFP1
SCHEMBL13580091 0.75 NR1I3 (0.68) TDP1MEN1KMT2ARXFP1HTT
SCHEMBL13253112 0.70 KMT2A (0.81) TDP1CTDSP1MEN1KMT2ARXFP1
SCHEMBL12869999 0.69 TDP1 (0.64) TDP1CTDSP1MEN1KMT2ARXFP1
SCHEMBL28407262 0.68 POLB (0.54) TDP1CTDSP1MEN1KMT2ARXFP1
SCHEMBL15528643 0.66 F2 (0.61) TDP1MEN1KMT2APOLBKDM4E
SCHEMBL14543307 0.65 NLRP3 (0.70) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL13832144 0.64 ALDH1A1 (0.67) TDP1LMNAPOLBKDM4EHTT
SCHEMBL2404195 0.64 MAPT (0.56) TDP1MEN1KMT2ALMNAPOLB
SCHEMBL11221078 0.64 SMN1; SMN2 (0.64) MEN1KMT2AHTTL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 US disclosed
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 US disclosed
US-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2014-11-27 US disclosed
US-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2014-11-27 US disclosed
US-8809346-B2 ANT-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2014-08-19 US disclosed
US-8809346-B2 ANT-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2014-08-19 US disclosed
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2011-04-14 US disclosed
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2011-04-14 US disclosed
WO-2009144584-A1 ANTI-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2009-12-03 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 (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-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 TDP1 4210/4885CTDSP1 2072/4885MEN1 2079/4885
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 TDP1 4489/4885CTDSP1 2616/4885MEN1 1906/4885

“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.