SCHEMBL7028528

SCHEMBL7028528

COc1ccc(CCN/C(=N\C#N)N2CC3CC(CN(CC(O)COc4ccc(C#N)cc4)C3)C2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7028529 1.00 KMT2A (0.42) KMT2AKCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL6742864 0.89 KCNH2 (0.44) KMT2AKCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL6989036 0.87 KCNH2 (0.37) KMT2AKCNH2ALDH1A1LMNA
SCHEMBL7036600 0.87 KCNH2 (0.37) KMT2AKCNH2ALDH1A1LMNA
SCHEMBL7034144 0.86 CACNA1G (0.42) KMT2AKCNH2ALDH1A1SMN1; SMN2POLB
SCHEMBL7034146 0.86 CACNA1G (0.42) KMT2AKCNH2ALDH1A1SMN1; SMN2POLB
SCHEMBL7028532 0.86 KCNH2 (0.39) KMT2AKCNH2ALDH1A1
SCHEMBL7033243 0.85 KCNH2 (0.46) KMT2AKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL7033237 0.85 KCNH2 (0.46) KMT2AKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL7028336 0.85 KCNH2 (0.47) KMT2AKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 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 (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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E KMT2A 2608/4885KCNH2 7/4885ALDH1A1 892/4885

“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.