SCHEMBL18013238

SCHEMBL18013238

COC(=O)c1cc(Cl)c(OC[C@H]2CCCN2Cc2ccc(Cl)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ SCN9A Q15858 8/20 0.44
▸ SCN7A Q01118 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ SPHK2 Q9NRA0 1/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.43
▸ LTA4H P09960 2/20 0.42

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
SCHEMBL20668667 0.91 HDAC8 (0.46) HDAC8HDAC6HDAC1SCN9ASCN7A
SCHEMBL18013241 0.89 LTA4H (0.46) HDAC8HDAC6HDAC1SCN9ASCN7A
SCHEMBL18013239 0.87 SCN9A (0.64) SCN9ASCN7ASCN5A
SCHEMBL28383912 0.87 SCN9A (0.64) SCN9ASCN7ASCN5A
SCHEMBL20668623 0.84 HSD11B1 (0.44) SCN9A
SCHEMBL20668617 0.84 SCN9A (0.60) SCN9ASCN7ASCN5A
SCHEMBL20668666 0.80 MRGPRX4 (0.48) HDAC8HDAC6HDAC1SCN9ASPHK2
SCHEMBL28394642 0.79 SCN9A (0.60) SCN9ASCN7ASCN5A
SCHEMBL28394643 0.79 SCN9A (0.60) SCN9ASCN7ASCN5A
SCHEMBL18013327 0.77 SCN9A (0.42) SCN9ASCN5A

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-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-27 — — US disclosed
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-01-24 — — US disclosed
WO-2016124139-A1 HETEROCYCLIC-SUBSTITUTED N-SULFONYLBENZAMIDE DERIVATIVES, PREPARATION METHOD FOR DERIVATIVES, AND PHARMACEUTICAL USE OF DERIVATIVES 上海海雁医药科技有限公司 2016-08-11 — — 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-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SCN11A, SCN8A, NHERF1 HDAC8 454/4885HDAC6 526/4885HDAC1 765/4885
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF SLC5A11, SLC6A11, SLC5A1 HDAC8 267/4885HDAC6 625/4885HDAC1 816/4885

“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.

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