SCHEMBL6501771

SCHEMBL6501771

CN(C(=O)CC1SC(NC2CC3C=CC2C3)=NC1=O)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KLKB1 P03952 1/20 0.33
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL6504837 0.89 MEN1 (0.32) ALDH1A1
SCHEMBL6427691 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6426010 0.85 MAPT (0.30) MAPT
SCHEMBL6501986 0.84 HTT (0.36) ALDH1A1MAPT
SCHEMBL6501293 0.84 MEN1 (0.32)
SCHEMBL6506064 0.84 TSHR (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6427407 0.82 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL6501582 0.82 ALDH1A1 (0.35) L3MBTL1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL6429839 0.81 ALDH1A1 (0.33) ALDH1A1GLATP53MAPT
SCHEMBL6427354 0.81 POLQ (0.37) ALDH1A1SMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 CTPS1 824/4885L3MBTL1 4470/4885ALDH1A1 67/4885

“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.