SCHEMBL13622148

SCHEMBL13622148

C=C(Nc1ccccc1)N1CCSc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 12/20 0.59
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL8228627 0.84 RYR2 (0.69) RYR2KCNH2
SCHEMBL15936473 0.83 RYR2 (0.72) RYR2KDM4ENPC1RAB9ATP53
SCHEMBL12265305 0.82 RYR2 (0.77) RYR2
SCHEMBL807121 0.81 RYR2 (0.72) RYR2KDM4ENPC1RAB9ATP53
SCHEMBL13719930 0.78 RAB9A (0.68) KDM4ENPC1RAB9ATP53SMN1; SMN2
SCHEMBL8203455 0.78 RYR2 (0.63) RYR2KCNH2
SCHEMBL13622128 0.77 RYR2 (0.66) RYR2TP53KCNH2
SCHEMBL6867029 0.75 RYR2 (1.00) RYR2KDM4EKCNH2
SCHEMBL12777295 0.74 RYR2 (0.73) RYR2KDM4ENPC1RAB9ATP53
SCHEMBL13622149 0.74 RYR2 (0.71) RYR2NPC1RAB9AKCNH2

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 275/4885KDM4E 477/4885NPC1 573/4885

“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.