SCHEMBL23215860

SCHEMBL23215860

C=CCOc1cc(C)c(Cl)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN1 P18031 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2C P28335 6/20 0.38
HTR2A P28223 5/20 0.38
HTR2B P41595 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29745644 1.00 GAA (0.42) GAATSHRLMNAMAPTNPSR1
SCHEMBL29745435 0.95 GAA (0.41) GAATSHRLMNAMAPTNPSR1
SCHEMBL23215415 0.95 GAA (0.41) GAATSHRLMNAMAPTNPSR1
SCHEMBL29745503 0.87 PTPN1 (0.42) GAATSHRLMNAMAPTPTPN1
SCHEMBL23215286 0.87 PTPN1 (0.42) GAATSHRLMNAMAPTPTPN1
SCHEMBL23216493 0.85 HTR2C (0.49) GAATSHRLMNAPTPN1ADRA2A
SCHEMBL29782302 0.85 HTR2C (0.49) GAATSHRLMNAPTPN1ADRA2A
SCHEMBL23215317 0.81 PTPN1 (0.39) GAATSHRLMNAMAPTPTPN1
SCHEMBL29782214 0.81 PTPN1 (0.39) GAATSHRLMNAMAPTPTPN1
SCHEMBL15466707 0.81 HPGD (0.46) GAATSHRLMNAPTPN1ADRA2A

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
EP-4041229-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP 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 1969/4885LMNA 2015/4885

“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.