SCHEMBL25865356

SCHEMBL25865356

CCOC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)ncc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.41
SCN10A Q9Y5Y9 3/20 0.41
PPARD Q03181 5/20 0.41
SCN2A Q99250 1/20 0.41
MMP12 P39900 1/20 0.41
PPIA P62937 1/20 0.40
TP53 P04637 1/20 0.40
PTGER1 P34995 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ELANE P08246 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL22315060 0.76 SCN10A (0.47) MRGPRX4SCN10AALDH1A1NPC1RAB9A
SCHEMBL25865344 0.73 EIF4E (0.44) MRGPRX4SCN10ANPC1RAB9A
SCHEMBL14729755 0.71 MEN1 (0.46) MRGPRX4SCN10APPARDALDH1A1NPC1
SCHEMBL22314946 0.70 DGAT1 (0.50) MRGPRX4SCN10AALDH1A1NPC1RAB9A
SCHEMBL22314935 0.70 PPARD (0.42) MRGPRX4SCN10APPARDSCN2APPIA
SCHEMBL13581056 0.70 MRGPRX4 (0.55) MRGPRX4PPARDPPIA
SCHEMBL11670391 0.69 CREBBP (0.57) MRGPRX4PTGER1NPC1RAB9A
SCHEMBL10742651 0.69 MEN1 (0.60) PPIAALDH1A1NPC1RAB9A
SCHEMBL10739078 0.69 ALDH1A1 (0.54) ALDH1A1NPC1RAB9A
SCHEMBL22145142 0.69 ALDH1A1 (0.48) TACR3PPIAPTGER1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US 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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B TACR3 557/4885MRGPRX4 2879/4885SCN10A 24/4885

“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.