SCHEMBL13622105

SCHEMBL13622105

O=C(NCCSSCCNC(=O)C(=O)N1CCSc2ccccc2C1)C(=O)N1CCSc2ccccc2C1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 17/20 0.69
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6866504 0.84 RYR2 (0.67) RYR2KCNH2
SCHEMBL807020 0.82 RYR2 (1.00) RYR2
SCHEMBL13622223 0.78 RYR2 (0.93) RYR2
SCHEMBL807120 0.78 RYR2 (0.58) RYR2KCNH2KDM4EALDH1A1
SCHEMBL13392740 0.78 RYR2 (0.58) RYR2KCNH2MEN1KMT2A
SCHEMBL6867029 0.78 RYR2 (1.00) RYR2KCNH2KDM4E
SCHEMBL807121 0.78 RYR2 (0.72) RYR2KCNH2KDM4E
SCHEMBL6882253 0.77 RYR2 (0.80) RYR2
SCHEMBL13622149 0.76 RYR2 (0.71) RYR2KCNH2MEN1KMT2A
SCHEMBL12777295 0.76 RYR2 (0.73) RYR2KCNH2KDM4EALDH1A1

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-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-26 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-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS KCNB2, KCNJ2, KCNJ5 RYR2 275/4885KCNH2 19/4885KDM4E 477/4885

“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.