SCHEMBL22305262

SCHEMBL22305262

Cc1cccc(C)c1NC(=O)C1CCCCCCN1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
SCN4A P35499 2/20 0.50
KCNK3 O14649 1/20 0.48
LMNA P02545 1/20 0.48
ULK1 O75385 1/20 0.47
ALOX12 P18054 1/20 0.47
POLB P06746 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GID4 Q8IVV7 1/20 0.45
HDAC2 Q92769 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL22306340 1.00 EPHX1 (0.54) EPHX1SCN4AKCNK3LMNAULK1
SCHEMBL3261012 0.99 EPHX1 (0.51) EPHX1SCN4AKCNK3LMNAULK1
SCHEMBL15428917 0.99 EPHX1 (0.51) EPHX1SCN4AKCNK3LMNAULK1
SCHEMBL2616379 0.99 EPHX1 (0.51) EPHX1SCN4AKCNK3LMNAULK1
Bromide SCHEMBL31222008 0.97 SCN4A (0.50) EPHX1SCN4AKCNK3LMNAULK1
SCHEMBL18485520 0.94 SCN4A (0.56) EPHX1SCN4AKCNK3LMNAULK1
Hydrochloric Acid SCHEMBL28152183 0.93 SCN4A (0.55) EPHX1SCN4AKCNK3LMNAPOLB
SCHEMBL22305972 0.90 MEN1 (0.50) EPHX1SCN4AKCNK3LMNAPOLB
SCHEMBL22305592 0.86 ULK1 (0.44) EPHX1SCN4AULK1CYP3A4CYP2D6
SCHEMBL28153112 0.86 ULK1 (0.44) EPHX1SCN4AULK1CYP3A4CYP2D6

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-20220135526-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2022-05-05 US disclosed
WO-2020156359-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学华西医院 2020-08-06 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-20220135526-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, SCN8A, SCN7A EPHX1 4767/4885SCN4A 28/4885KCNK3 748/4885

“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.