SCHEMBL20190308

SCHEMBL20190308

O=Cc1cnn2ccc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.49
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
LTA4H P09960 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
TGFBR1 P36897 2/20 0.33
F2RL3 Q96RI0 1/20 0.33
RAD51 Q06609 1/20 0.33
PIK3CA P42336 2/20 0.33
FLT3 P36888 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL20190932 0.84 SCN5A (0.68) SCN5AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL29220732 0.82 CAMKK1 (0.44) SCN5AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1348731 0.80 SCN5A (0.52) SCN5AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL312326 0.79 TGFBR1 (0.52) SCN5AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL20190163 0.77 SCN5A (0.50) SCN5AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1348920 0.76 SCN5A (0.49) SCN5AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL5180976 0.74 SCN5A (0.53) SCN5AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL860236 0.72 PARP1 (0.43) SMN1; SMN2MAPTTGFBR1
SCHEMBL18003147 0.71 NPC1 (0.46) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL20190410 0.71 SCN5A (0.65) SCN5AKDM4EALDH1A1SMN1; SMN2LMNA

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 4 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
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 8/4885KDM4E 2066/4885ALDH1A1 916/4885

“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.