SCHEMBL24518541

SCHEMBL24518541

O=C(O)c1cc(C(F)(F)F)c(C2CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.40
KCNH2 Q12809 1/20 0.40
RBP4 P02753 5/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
ASPH Q12797 1/20 0.38
NOTUM Q6P988 7/20 0.37
DHODH Q02127 3/20 0.37
PTPRB P23467 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL24518545 0.82 CFTR (0.47) SLC9A1KCNH2RBP4NOTUM
SCHEMBL10148394 0.81 NOTUM (0.40) ASPHNOTUMKDM4C
SCHEMBL18272375 0.75 ACMSD (0.40) ASPHNOTUM
SCHEMBL12725573 0.73 ASPH (0.46) ASPHNOTUM
SCHEMBL24518169 0.73 SCN8A (0.41) SLC9A1KCNH2KDM4C
SCHEMBL24518542 0.73 NOTUM (0.37) SLC9A1KCNH2NOTUM
SCHEMBL3829034 0.73 NOTUM (0.37) NOTUM
SCHEMBL31188362 0.72 SLC9A1 (0.50) SLC9A1KCNH2RBP4CYP2C19CYP2D6
SCHEMBL664135 0.72 SSTR5 (0.46) RBP4CYP2C19CYP2D6NOTUM
SCHEMBL3871135 0.71 ASPH (0.47) ASPHNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437062-B Compound capable of being used as sodium channel regulator and application thereof 成都海博为药业有限公司 2024-05-17 CN disclosed
US-20230303497-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USES THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD (CN) 2023-09-28 US disclosed
US-20230303497-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USES THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD (CN) 2023-09-28 US disclosed
EP-4230618-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USE THEREOF Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2023-08-23 EP disclosed
EP-4230618-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USE THEREOF Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2023-08-23 EP disclosed
CN-114031518-B Benzylamine or benzyl alcohol derivative and application thereof 成都海博为药业有限公司 2023-08-18 CN disclosed
WO-2022121517-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USE THEREOF 成都海博为药业有限公司 2022-06-16 WO disclosed
WO-2022121517-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USE THEREOF 成都海博为药业有限公司 2022-06-16 WO disclosed
CN-114437062-A Compound capable of being used as sodium channel regulator and application thereof 成都海博为药业有限公司 2022-05-06 CN disclosed
CN-114031518-A Benzylamine or benzyl alcohol derivative and application thereof 成都海博为药业有限公司 2022-02-11 CN 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-20230303497-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USES THEREOF SCN8A, SCN9A, SCN10A SLC9A1 86/4885KCNH2 71/4885RBP4 3995/4885

“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.