SCHEMBL23215967

SCHEMBL23215967

C=CCOc1cc(C(F)(F)F)c(Cl)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
AGER Q15109 1/20 0.36
HTR2C P28335 7/20 0.36
HTR2A P28223 5/20 0.36
HTR2B P41595 4/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PTPN1 P18031 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
IDO1 P14902 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29745376 1.00 GAA (0.39) GAATSHRMEN1KMT2AHTT
SCHEMBL23216493 0.81 HTR2C (0.49) GAATSHRMEN1KMT2AHTT
SCHEMBL29782302 0.81 HTR2C (0.49) GAATSHRMEN1KMT2AHTT
SCHEMBL23215966 0.79 HTR2C (0.53) GAATSHRMEN1KMT2AHTT
SCHEMBL29782274 0.79 HTR2C (0.53) GAATSHRMEN1KMT2AHTT
SCHEMBL9873406 0.78 PPOX (0.44) GAATSHRAGERHTR2CHTR2A
SCHEMBL15466707 0.77 HPGD (0.46) GAATSHRMEN1KMT2AHTT
SCHEMBL23215860 0.76 GAA (0.42) GAATSHRMEN1KMT2AHTT
SCHEMBL29745644 0.76 GAA (0.42) GAATSHRMEN1KMT2AHTT
SCHEMBL20562546 0.75 HTR2A (0.40) GAAMEN1KMT2AHTTHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
CN-114727991-A Arylmethylene heterocyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2022-07-08 CN disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 GAA 2669/4885TSHR 1969/4885MEN1 1151/4885

“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.