SCHEMBL4550327

SCHEMBL4550327

CCOc1nc(OCC(F)(F)F)ccc1CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NUDT1 P36639 1/20 0.33
MAPK1 P28482 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.32
TRPV1 Q8NER1 1/20 0.31
EPHX2 P34913 1/20 0.31
PDCD1LG2 Q9BQ51 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
PAX8 Q06710 1/20 0.31
SCN9A Q15858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGDS O60760 1/20 0.30

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 SCHEMBL2717471 0.99 MBOAT4 (0.35) L3MBTL1MBOAT4HPGDSMN1; SMN2NUDT1
SCHEMBL2715306 0.87 CD274 (0.43) L3MBTL1MBOAT4SMN1; SMN2NUDT1MAPK1
SCHEMBL2716761 0.85 L3MBTL1 (0.39) L3MBTL1MBOAT4HPGDSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL2716920 0.85 CD274 (0.42) L3MBTL1MBOAT4SMN1; SMN2NUDT1MAPK1
SCHEMBL4550309 0.80 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2NUDT1MAPK1POLB
SCHEMBL2525510 0.80 MBOAT4 (0.51) MBOAT4HPGDSMN1; SMN2TRPV1
Hydrochloric Acid SCHEMBL2716406 0.79 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2NUDT1MAPK1POLB
SCHEMBL3804006 0.76 POLB (0.43) L3MBTL1SMN1; SMN2MAPK1POLBMAPT
Hydrochloric Acid SCHEMBL28391819 0.75 MEN1 (0.37) L3MBTL1HPGDSMN1; SMN2MAPK1TRPV1
SCHEMBL18266672 0.75 CD274 (0.41) MBOAT4NUDT1PDCD1LG2CD274

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 L3MBTL1 2429/4885MBOAT4 2049/4885HPGD 1404/4885

“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.