SCHEMBL21229024

SCHEMBL21229024

CN(C)CCSc1ncc(CNC(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.50
HTR1A P08908 4/20 0.37
HTR2A P28223 3/20 0.37
DRD2 P14416 1/20 0.33
ALOX5 P09917 1/20 0.32
FLT3 P36888 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL26759029 0.77 HTR7 (0.56) HTR7HTR1AHTR2ADRD2
SCHEMBL18641615 0.75 HTR7 (0.46) HTR7HTR1AHTR2ADRD2
Hydrochloric Acid SCHEMBL21229082 0.75 HTR7 (0.54) HTR7HTR1AHTR2ADRD2
SCHEMBL21229056 0.70 NAMPT (0.38) HDAC6MAPK1
SCHEMBL5653620 0.69 SMN1; SMN2 (0.53) DRD2HDAC6
SCHEMBL20659199 0.69 SMN1; SMN2 (0.45)
SCHEMBL290401 0.69 FPR2 (0.44) HDAC6MAPK1
SCHEMBL21229126 0.69 CHEK1 (0.43) DRD2MAPK1
SCHEMBL21229078 0.68 LSS (0.47)
SCHEMBL23018439 0.68 PDPK1 (0.37) MAPK1

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-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 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-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS HTR7 3617/4885HTR1A 3143/4885HTR2A 2198/4885

“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.