SCHEMBL21777314

SCHEMBL21777314

Fc1ccc(F)c(CN2CCCC2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HTT P42858 1/20 0.49
GRIN2B Q13224 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HRH3 Q9Y5N1 2/20 0.42
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2A13 Q16696 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
GFER P55789 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
SCHEMBL20237934 0.96 ALDH1A1 (0.44) ALDH1A1HTTGRIN2BCYP1A2CYP2D6
SCHEMBL10211855 0.78 ALDH1A1 (0.62) ALDH1A1HTTGRIN2BCYP1A2CYP2D6
SCHEMBL21777833 0.77 ALDH1A1 (0.49) ALDH1A1HTTGRIN2BCYP1A2CYP2D6
SCHEMBL807442 0.76 ALDH1A1 (0.63) ALDH1A1HTTGRIN2BCYP2D6KDM4E
Hydrochloric Acid SCHEMBL7405658 0.74 ALDH1A1 (0.61) ALDH1A1HTTGRIN2BCYP2D6KDM4E
Ammonia Solution, Strong SCHEMBL28443624 0.74 ALDH1A1 (0.61) ALDH1A1HTTGRIN2BCYP2D6KDM4E
SCHEMBL2106701 0.74 ALDH1A1 (0.46) ALDH1A1HTTKDM4ESMN1; SMN2HRH3
SCHEMBL20238516 0.73 ALDH1A1 (0.44) ALDH1A1HTTGRIN2BCYP1A2CYP2D6
SCHEMBL20237959 0.73 ALDH1A1 (0.44) ALDH1A1HTTGRIN2BCYP1A2CYP2D6
SCHEMBL1427472 0.73 ALDH1A1 (0.49) ALDH1A1HTTKDM4ESMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638879-B Heteroaryl substituted sulfonamide compounds and their use as therapeutic agents 泽农医药公司 2024-06-18 CN disclosed
US-11639351-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. 2023-05-02 US disclosed
US-11639351-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. 2023-05-02 US disclosed
US-11639351-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. 2023-05-02 US disclosed
US-20220348570-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2022-11-03 US disclosed
EP-3844150-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2021-07-07 EP disclosed
US-10981905-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-04-20 US disclosed
US-10981905-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-04-20 US disclosed
CN-112638879-A Heteroaryl substituted sulfonamide compounds and their use as therapeutic agents 泽农医药公司 2021-04-09 CN disclosed
US-20200157089-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-05-21 US disclosed
US-20200157089-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-05-21 US disclosed
WO-2020047323-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 WO disclosed
WO-2020047323-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 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 (4 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-11639351-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents SCN1A, SCN2A, SCN2B ALDH1A1 2781/4885HTT 375/4885GRIN2B 224/4885
US-20200157089-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN2A, SCN2B ALDH1A1 2781/4885HTT 375/4885GRIN2B 224/4885
US-10981905-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents SCN1A, SCN2A, SCN2B ALDH1A1 2781/4885HTT 375/4885GRIN2B 224/4885
US-20220348570-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN2A, SCN2B ALDH1A1 2781/4885HTT 375/4885GRIN2B 224/4885

“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.