SCHEMBL4609032

SCHEMBL4609032

Cc1nc(Br)c(-c2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
NOTUM Q6P988 1/20 0.41
SCN5A Q14524 8/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
PTGS2 P35354 1/20 0.39
PTGER4 P35408 1/20 0.39
CYP1A2 P05177 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CHRNA7 P36544 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KIF11 P52732 1/20 0.37
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL4608185 0.79 SCN5A (0.40) NOTUMSCN5ASCN1ASCN2ATRPV1
SCHEMBL16696518 0.79 NPSR1 (0.42) NPSR1TP53NOTUMSCN5ASCN1A
SCHEMBL14530958 0.78 NPSR1 (0.38) NPSR1NOTUMSCN5APTGER4TRPV1
SCHEMBL17518866 0.70 NPSR1 (0.62) NPSR1TP53NOTUMSCN5ASCN1A
SCHEMBL4606922 0.70 SCN10A (0.42) NPSR1NOTUMSCN5ASCN1ASCN2A
SCHEMBL4606442 0.69 TP53 (0.57) NPSR1TP53NOTUMSCN5ASCN1A
SCHEMBL2056289 0.69 NPSR1 (0.57) NPSR1NOTUMSCN5APTGER4CHRNA7
SCHEMBL22628911 0.69 LMNA (0.57) NPSR1TP53NOTUMSCN5ASCN1A
SCHEMBL2056108 0.69 TP53 (0.69) TP53SCN5APOLB
SCHEMBL7948111 0.68 DYRK1A (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
CN-101304993-A Compounds and compositions as ppar modulators IRM LLC (BM) 2008-11-12 CN disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
EP-1749003-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116016-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 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-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD NPSR1 2096/4885TP53 576/4885NOTUM 1576/4885
US-20070244130-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD NPSR1 1999/4885TP53 795/4885NOTUM 1445/4885

“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.