SCHEMBL1644467

SCHEMBL1644467

Cc1c(C(=O)O)cnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
SORT1 Q99523 7/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PARP1 P09874 1/20 0.44
CSF1R P07333 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
DHODH Q02127 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
PDE6D O43924 1/20 0.42
PDE5A O76074 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42

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
SCHEMBL27855175 0.87 CSF1R (0.51) THRBPARP1CSF1RKMT2APTGDR2
SCHEMBL1644662 0.87 TDP1 (0.42) THRBDHODH
SCHEMBL438818 0.86 ALDH1A1 (0.53) THRBSORT1ALDH1A1HPGDKDM4E
SCHEMBL1642916 0.85 CFTR (0.51) THRBPARP1CSF1RPDE6DPDE5A
SCHEMBL3887756 0.84 ALDH1A1 (0.46) THRBSORT1ALDH1A1HPGDKDM4E
SCHEMBL30592902 0.84 ALDH1A1 (0.46) THRBSORT1ALDH1A1HPGDKDM4E
SCHEMBL4466003 0.83 SORT1 (0.46) THRBSORT1ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL11870232 0.83 ALDH1A1 (0.45) THRBSORT1ALDH1A1HPGDKDM4E
SCHEMBL14378112 0.83 THRB (0.62) THRBKDM4EMEN1KMT2APDE6D
SCHEMBL3094411 0.79 THRB (0.40) THRBSORT1PARP1CSF1RCYP1A2

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
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
CN-103068804-A Substituted 2-oxy-quinoline-3-carboxamides as kcnq2/3 modulators GRUENENTHAL GMBH 2013-04-24 CN disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
CN-102348692-A Substituted 2-mercaptoquinoline-3-carboxamides as kcnq2/3 modulators GRUENENTHAL GMBH 2012-02-08 CN disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 THRB 1401/4885SORT1 4494/4885ALDH1A1 1265/4885

“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.