SCHEMBL25865344

SCHEMBL25865344

O=[N+]([O-])c1cc(-c2ccc(OC(F)(F)F)cc2)ncc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PIN1 Q13526 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
PTGES O14684 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
SCN10A Q9Y5Y9 2/20 0.41
TDO2 P48775 1/20 0.41
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
POLB P06746 1/20 0.41
CTSV O60911 3/20 0.40
CTSL P07711 3/20 0.40

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 0.81 SCN10A (0.47) MEN1KMT2AMRGPRX4NPC1RAB9A
SCHEMBL20472092 0.80 KMT2A (0.52) EIF4EMEN1KMT2AMRGPRX4NPC1
SCHEMBL7250393 0.78 PTGES (0.57) EIF4EMEN1KMT2AMRGPRX4PTGES
SCHEMBL13581179 0.77 NPC1 (0.53) MEN1KMT2APTGESNPC1RAB9A
SCHEMBL14729755 0.76 MEN1 (0.46) MEN1KMT2AMRGPRX4NPC1RAB9A
SCHEMBL1241610 0.76 CYP19A1 (0.55) MEN1KMT2APTGESCYP19A1CYP11B1
SCHEMBL11310905 0.76 MEN1 (0.53) MEN1KMT2AMRGPRX4PTGESNPC1
SCHEMBL22314946 0.75 DGAT1 (0.50) MEN1KMT2AMRGPRX4NPC1RAB9A
SCHEMBL25865356 0.73 TACR3 (0.44) MRGPRX4NPC1RAB9ASCN10A
SCHEMBL1242773 0.72 ALDH1A1 (0.44) PTGES

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 2 patents. 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
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 EIF4E 4117/4885MEN1 1134/4885KMT2A 1112/4885

“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.