SCHEMBL13622172

SCHEMBL13622172

O=S(=O)(Cl)N1CCSc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 13/20 0.53
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7559963 0.85 RYR2 (0.63) RYR2MEN1KMT2ANOTUM
SCHEMBL7558332 0.84 RYR2 (0.53) RYR2KMT2ANOTUM
SCHEMBL13387456 0.81 RYR2 (0.48) RYR2MEN1KMT2ANOTUMTSHR
SCHEMBL13622077 0.79 RYR2 (0.52) RYR2L3MBTL1TSHRSMN1; SMN2
SCHEMBL6241042 0.73 KMT2A (0.50) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL8117456 0.73 KMT2A (0.50) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL3007964 0.73 KMT2A (0.66) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL7559424 0.72 RYR2 (0.55) RYR2NOTUM
SCHEMBL9635059 0.72 RYR2 (0.72) RYR2NOTUM
SCHEMBL8248175 0.72 RYR2 (0.57) RYR2CYP2D6CYP2C19NOTUMTSHR

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 275/4885CYP1A2 130/4885CYP2D6 126/4885

“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.