SCHEMBL26239253

SCHEMBL26239253

COC(=O)c1cc([N+](=O)[O-])ccc1OCCN(C)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.61
CDC25C P30307 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL26239269 0.89 KCNH2 (0.63) KCNH2CDC25CMEN1KMT2ATHRB
SCHEMBL26239268 0.86 KCNH2 (0.54) KCNH2CDC25CMEN1KMT2ATHRB
SCHEMBL26239281 0.82 KCNH2 (0.49) KCNH2CDC25CMEN1KMT2ATHRB
SCHEMBL5109206 0.81 L3MBTL1 (0.53) KCNH2MEN1KMT2AALDH1A1HTT
SCHEMBL24600583 0.80 KCNH2 (0.46) KCNH2BLMSIGMAR1ALDH1A1MAPT
SCHEMBL10721556 0.80 KCNH2 (0.62) KCNH2CDC25CMEN1KMT2ATHRB
SCHEMBL9097438 0.79 MEN1 (0.50) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL733055 0.79 CYP19A1 (0.53) MEN1KMT2AALDH1A1MAPT
SCHEMBL28060807 0.78 ALDH1A1 (0.51) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL26239254 0.78 ALDH1A1 (0.48) MEN1KMT2ATDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025846-A1 ULTRA SHORT ACTING ANTI-ARRHYTHMIC AGENTS ACAD PHARMACEUTICALS INC (US) 2024-01-25 US disclosed
US-11731938-B2 Ultra short acting anti-arrhythmic agents ACADEMIC PHARMACEUTICALS INC (US) 2023-08-22 US 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-11731938-B2 Ultra short acting anti-arrhythmic agents CACNA1G, SCN5A, CACNA1F KCNH2 51/4885CDC25C 3526/4885MEN1 4508/4885
US-20240025846-A1 ULTRA SHORT ACTING ANTI-ARRHYTHMIC AGENTS CACNA1G, SCN5A, CACNA1F KCNH2 51/4885CDC25C 3526/4885MEN1 4508/4885

“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.