SCHEMBL4550332

SCHEMBL4550332

Cc1cc(CN)cnc1OCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.37
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AAK1 Q2M2I8 7/20 0.36
LOX P28300 1/20 0.36
SSTR4 P31391 1/20 0.36
CNR2 P34972 1/20 0.35

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
Hydrochloric Acid SCHEMBL2714771 0.98 LOXL2 (0.38) LOXL2PTGS2ALDH1A1MAPTKDM4E
SCHEMBL15350922 0.89 AAK1 (0.38) LOXL2AAK1LOXSSTR4NUDT1
SCHEMBL24208476 0.85 PTGS2 (0.38) PTGS2ALDH1A1MAPTKDM4EMEN1
SCHEMBL4550721 0.85 MAPK1 (0.43) ALDH1A1MAPTKMT2AAAK1SCN9A
SCHEMBL2712954 0.84 PTGS2 (0.39) PTGS2ALDH1A1MAPTKDM4EMEN1
SCHEMBL30391692 0.84 PTGS2 (0.39) PTGS2ALDH1A1MAPTKDM4EMEN1
SCHEMBL24208623 0.84 PTGS2 (0.36) PTGS2ALDH1A1MAPTKDM4EMEN1
SCHEMBL2713753 0.84 PTGS2 (0.36) PTGS2ALDH1A1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL2713963 0.84 MAPK1 (0.42) LOXL2ALDH1A1MAPTAAK1LOX
SCHEMBL19673091 0.83 SSTR4 (0.36) PTGS2ALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A LOXL2 2082/4885PTGS2 1174/4885ALDH1A1 1358/4885

“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.