SCHEMBL4564388

SCHEMBL4564388

O=Cc1cccc(-n2nc(C(F)(F)F)cc2-c2ccco2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPT P10636 2/20 0.44
PTGS1 P23219 3/20 0.44
TSHR P16473 2/20 0.43
PTGS2 P35354 6/20 0.39
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
TP53 P04637 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR8 Q9NR97 1/20 0.38
NR3C2 P08235 2/20 0.38

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
SCHEMBL30484959 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL950143 0.82 PTGS1 (0.64) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5067585 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL14062925 0.82 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4564151 0.82 ERN1 (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL21879532 0.81 KLKB1 (0.52) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL14038249 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL30677019 0.79 PTGS2 (0.53) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL14063016 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5066870 0.79 PDPK1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT

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
CN-116375648-A Preparation method of Bei Luosi intermediate 苏州农平科技发展有限公司 2023-07-04 CN claimed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 KDM4E 369/4885ALDH1A1 2119/4885HPGD 2834/4885

“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.