SCHEMBL4550338

SCHEMBL4550338

Cc1cc(CN)ccc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.44
G6PD P11413 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.41
CSNK2A1 P68400 4/20 0.41
LOX P28300 1/20 0.40
FFAR4 Q5NUL3 4/20 0.40
FFAR1 O14842 2/20 0.40
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL15351342 0.98 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL9039318 0.87 KDM4E (0.47) ALDH1A1MAPTKDM4EMEN1USP2
Hydrochloric Acid SCHEMBL15670213 0.87 CSNK2A1 (0.41) KDM4ELOXL2CSNK2A1LOXFFAR4
Hydrochloric Acid SCHEMBL30117172 0.85 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL15351230 0.83 MRGPRX4 (0.43) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL4550345 0.82 KDM4E (0.49) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL15711367 0.82 KDM4E (0.49) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL9679102 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL30149948 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL25043123 0.81 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1USP2

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-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9187475-B2 Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-11-17 US disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 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-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO 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 (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-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A ALDH1A1 2675/4885MAPT 2808/4885KDM4E 1294/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A ALDH1A1 1358/4885MAPT 3185/4885KDM4E 1168/4885

“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.