SCHEMBL20256641

SCHEMBL20256641

NC(N)c1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.38
BACE1 P56817 1/20 0.37
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CFD P00746 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL20256245 0.83 CES2 (0.41) TAAR1CYP3A4CES2CES1
SCHEMBL4680355 0.83 CYP1A2 (0.48) TAAR1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL31521541 0.83 CYP1A2 (0.48) TAAR1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL3775108 0.83 CYP1A2 (0.48) TAAR1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL30818078 0.83 CYP1A2 (0.48) TAAR1GAAALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL20238705 0.81 ALDH1A1 (0.50) TAAR1GAAALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL20238704 0.81 ALDH1A1 (0.50) TAAR1GAAALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL29669028 0.81 ALDH1A1 (0.50) TAAR1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL7181065 0.79 GAA (0.44) TAAR1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL17138366 0.79 GAA (0.44) TAAR1GAAALDH1A1CYP1A2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-11-16 US disclosed
US-20210171537-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2021-06-10 US disclosed
US-20180162868-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 US disclosed
WO-2018106284-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 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 (3 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-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents KCND2, SCN1A, CACNA1D TAAR1 1459/4885GAA 2829/4885ALDH1A1 2649/4885
US-20210171537-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B TAAR1 1715/4885GAA 1697/4885ALDH1A1 2629/4885
US-20180162868-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B TAAR1 1715/4885GAA 1697/4885ALDH1A1 2629/4885

“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.