SCHEMBL20529657

SCHEMBL20529657

O=[N+]([O-])c1cnc(Cl)nc1NCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 10/20 0.53
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
STK17A Q9UEE5 1/20 0.40
GAA P10253 1/20 0.40
PRKCQ Q04759 4/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL4138613 0.86 PIN1 (0.53) PIN1L3MBTL1MAPTSTK17APRKCQ
SCHEMBL1804900 0.81 PIN1 (0.57) PIN1L3MBTL1MAPTSTK17APRKCQ
SCHEMBL28657847 0.81 PIN1 (0.57) PIN1L3MBTL1MAPTSTK17APRKCQ
SCHEMBL19665707 0.80 PIN1 (0.51) PIN1L3MBTL1MAPTMEN1KMT2A
SCHEMBL3158536 0.78 PIN1 (0.55) PIN1L3MBTL1MAPTMEN1KMT2A
SCHEMBL16061278 0.78 MAPT (0.62) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14236542 0.78 PIN1 (0.44) PIN1L3MBTL1MAPTMEN1KMT2A
SCHEMBL2059044 0.77 L3MBTL1 (0.58) PIN1L3MBTL1MEN1KMT2ASTK17A
SCHEMBL16060247 0.77 PGK1 (0.42) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7491353 0.77 MAPT (0.64) PIN1L3MBTL1MAPTSTK17APRKCQ

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-11731966-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-11-18 US disclosed
WO-2018187480-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-10-11 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 (2 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-11731966-B2 Compounds and their methods of use SCN1A, SCN3A, SCN1B PIN1 3333/4885L3MBTL1 1392/4885MAPT 670/4885
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B PIN1 3333/4885L3MBTL1 1392/4885MAPT 670/4885

“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.