SCHEMBL20190111

SCHEMBL20190111

FC(F)(F)Oc1ccc(-c2cc3c(I)cnn3cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 10/20 0.53
ABL1 P00519 4/20 0.41
BCR P11274 4/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPK1 P28482 2/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL20190572 0.85 SCN5A (0.72) SCN5AABL1BCRMAPTKDM4E
SCHEMBL20190899 0.83 SCN5A (0.72) SCN5AABL1BCRMAOAMAOB
SCHEMBL23524389 0.82 SCN5A (0.60) SCN5AABL1BCRMAPTKDM4E
SCHEMBL20190211 0.82 CYP1A2 (0.47) SCN5AABL1BCRCYP1A2MAOA
SCHEMBL22712328 0.77 MAPT (0.44) SCN5AABL1BCRMAPTKDM4E
SCHEMBL20190144 0.77 SCN5A (0.50) SCN5ASCN10A
SCHEMBL20190305 0.74 SCN5A (0.68) SCN5AABL1BCRMAPTKDM4E
SCHEMBL20190535 0.74 SCN5A (0.73) SCN5AMAPTKDM4EGAANPC1
SCHEMBL22738442 0.71 SCN5A (0.44) SCN5AABL1BCRMAPTKDM4E
SCHEMBL22712301 0.71 SCN5A (0.45) SCN5AABL1BCRCYP1A2MAOA

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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN5A 8/4885ABL1 3085/4885BCR 2936/4885

“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.