SCHEMBL12296289

SCHEMBL12296289

N#Cc1cccc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.54
ABL1 P00519 1/20 0.50
PDK2 Q15119 1/20 0.47
SCN5A Q14524 3/20 0.46
TRPA1 O75762 1/20 0.46
SCN9A Q15858 1/20 0.46
CLK4 Q9HAZ1 1/20 0.44
XDH P47989 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
PGR P06401 4/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KIF11 P52732 1/20 0.41
MAP4K4 O95819 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL2803766 0.83 KIF11 (0.57) PTPN5SCN5ATRPA1SCN9AKIF11
SCHEMBL29628993 0.82 SCN5A (0.54) ABL1SCN5AKIF11
SCHEMBL29478762 0.81 GRM5 (0.48) PDK2SCN5ATRPA1SCN9ASLC6A2
Hydrochloric Acid SCHEMBL4599674 0.81 KIF11 (0.55) PTPN5SCN5ATRPA1SCN9AKIF11
SCHEMBL689277 0.81 GRM5 (0.48) PDK2SCN5ATRPA1SCN9ASLC6A2
SCHEMBL921695 0.81 EPAS1 (0.46) ABL1SCN5ATRPA1SCN9APGR
SCHEMBL27787243 0.78 CLK4 (0.63) PTPN5CLK4XDHSLC22A12GABRG2
SCHEMBL8481744 0.78 ABL1 (0.58) PTPN5ABL1CLK4PGRAR
SCHEMBL31010840 0.77 PTPN5 (0.47) PTPN5PDK2CLK4XDHSLC22A12
SCHEMBL182036 0.77 GRM5 (0.53) ABL1SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 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-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 PTPN5 3004/4885ABL1 1278/4885PDK2 3335/4885

“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.