SCHEMBL4550752

SCHEMBL4550752

NCc1ccc(OCC(F)(F)C(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CFTR P13569 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.32
LOX P28300 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
SCN9A Q15858 1/20 0.31
CTSD P07339 1/20 0.31

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 SCHEMBL2714850 0.98 L3MBTL1 (0.37) L3MBTL1MAPTMAPK1POLBTDP1
SCHEMBL5049825 0.88 TAAR1 (0.38) L3MBTL1MAPTMAPK1POLBTDP1
SCHEMBL2718559 0.84 L3MBTL1 (0.41) L3MBTL1MAPTMAPK1POLBTDP1
SCHEMBL2715602 0.84 L3MBTL1 (0.38) L3MBTL1MAPTMAPK1POLBTDP1
SCHEMBL3890599 0.83 L3MBTL1 (0.53) L3MBTL1MAPTMAPK1POLBSMN1; SMN2
SCHEMBL30939139 0.83 L3MBTL1 (0.53) L3MBTL1MAPTMAPK1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL2713855 0.82 L3MBTL1 (0.51) L3MBTL1MAPTMAPK1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5012085 0.82 L3MBTL1 (0.51) L3MBTL1MAPTMAPK1POLBSMN1; SMN2
SCHEMBL3884547 0.81 KDM4E (0.42) L3MBTL1MAPTMAPK1POLBCFTR
SCHEMBL4550753 0.81 L3MBTL1 (0.40) L3MBTL1MAPTMAPK1POLBLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2429/4885MAPT 3185/4885MAPK1 3779/4885

“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.