SCHEMBL23215826

SCHEMBL23215826

C=CCOc1c(Br)cc(Cl)c(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HTR2C P28335 7/20 0.35
HTR2B P41595 5/20 0.35
HTR2A P28223 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL29745327 1.00 LMNA (0.39) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL7600877 0.76 LMNA (0.45) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL42433 0.76 LMNA (0.45) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL11493823 0.73 LMNA (0.42) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL7598077 0.73 LMNA (0.43) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL6578128 0.73 LMNA (0.47) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL29669505 0.72 HTR2C (0.40) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL29782274 0.71 HTR2C (0.53) MEN1KMT2AHPGDGAATSHR
SCHEMBL23215966 0.71 HTR2C (0.53) MEN1KMT2AHPGDGAATSHR
SCHEMBL10712071 0.70 HRH3 (0.44) LMNASMN1; SMN2MEN1KMT2AHPGD

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 5 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
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 LMNA 2015/4885SMN1; SMN2 1712/4885HSD17B10 715/4885

“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.