SCHEMBL2716561

SCHEMBL2716561

CC(=O)c1ccc(F)c(OCC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.44
MAOA P21397 1/20 0.44
KIF11 P52732 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RXRA P19793 1/20 0.42
HNF4A P41235 1/20 0.42
CREBBP Q92793 1/20 0.42
PYGL P06737 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL27931889 0.85 MEN1 (0.46) IDO1TDO2ALDH1A1RXRAHNF4A
SCHEMBL311898 0.84 KIF11 (0.48) MAOBMAOAKIF11ALDH1A1RXRA
SCHEMBL17480174 0.82 MAOB (0.48) MAOBMAOAALDH1A1CREBBPL3MBTL1
SCHEMBL22342481 0.82 CREBBP (0.61) MAOBMAOAALDH1A1CREBBPL3MBTL1
SCHEMBL15351028 0.81 ALDH1A1 (0.46) MAOBALDH1A1RXRAHNF4ACREBBP
SCHEMBL313614 0.81 CYP2C9 (0.48) MAOBMAOAKIF11ALDH1A1RXRA
SCHEMBL2715191 0.80 MRGPRX4 (0.53) ALDH1A1CREBBPCYP1A2CYP2C9KDM4E
SCHEMBL18374248 0.79 SMN1; SMN2 (0.52) MAOBMAOAALDH1A1CREBBPL3MBTL1
SCHEMBL29387076 0.79 SMN1; SMN2 (0.52) MAOBMAOAALDH1A1CREBBPL3MBTL1
SCHEMBL2796916 0.79 EPHX2 (0.47) MAOBMAOAKIF11IDO1TDO2

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 5 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-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP 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 MAOB 220/4885MAOA 227/4885KIF11 4539/4885

“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.