SCHEMBL21835709

SCHEMBL21835709

Cc1cc(OC(C)C(F)(F)F)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
S100B P04271 1/20 0.36
RORC P51449 1/20 0.35
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ESR1 P03372 2/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
SKP2 Q13309 1/20 0.32
THRB P10828 3/20 0.32
NR4A1 P22736 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
SCHEMBL21835728 0.83 SMN1; SMN2 (0.39) TDP1ALDH1A1TSHRRORCNPC1
SCHEMBL29754231 0.81 RORC (0.34) ALDH1A1RORCNPC1MAPTRAB9A
SCHEMBL24869826 0.80 CYP3A4 (0.43) TDP1ALDH1A1CYP3A4TSHRS100B
SCHEMBL16756041 0.80 ALDH1A1 (0.46) TDP1ALDH1A1CYP3A4TSHRS100B
SCHEMBL4426535 0.78 ALDH1A1 (0.45) TDP1ALDH1A1CYP3A4TSHRS100B
SCHEMBL7443836 0.77 TDP1 (0.44) TDP1ALDH1A1CYP3A4TSHRS100B
Hydrochloric Acid SCHEMBL29492790 0.77 ALDH1A1 (0.43) TDP1ALDH1A1CYP3A4TSHRS100B
SCHEMBL14322000 0.76 PDIA6 (0.54) TDP1ALDH1A1RORCL3MBTL1SMN1; SMN2
SCHEMBL11238 0.76 TDP1 (0.43) TDP1ALDH1A1CYP3A4TSHRNPC1
SCHEMBL11433 0.76 TDP1 (0.43) TDP1ALDH1A1CYP3A4TSHRNPC1

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-20210403476-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-12-30 US disclosed
EP-3856193-A1 ION CHANNEL MODULATORS Praxis Precision Medicines, Inc. (US) 2021-08-04 EP disclosed
WO-2020069322-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. (US) 2020-04-02 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-20210403476-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A TDP1 3478/4885ALDH1A1 1953/4885CYP3A4 3388/4885

“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.