SCHEMBL6506411

SCHEMBL6506411

COc1ccccc1NC(=O)NCCC1SC(NC2CCCCCC2)=NC1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6499268 0.89 ALDH1A1 (0.47) SMN1; SMN2TAS1R3TAS1R1MAPTTP53
SCHEMBL6499488 0.88 KMT2A (0.56) MAPTLMNATP53TDP1HTR3E
SCHEMBL6502145 0.86 NPC1 (0.50) SMN1; SMN2TAS1R3TAS1R1NPSR1TSHR
SCHEMBL6502232 0.86 KMT2A (0.50) SMN1; SMN2MAPTLMNATP53L3MBTL1
SCHEMBL6386637 0.84 POLB (0.51) L3MBTL1
SCHEMBL6501631 0.84 POLB (0.51) L3MBTL1
SCHEMBL6500692 0.81 RAB9A (0.52) MAPTLMNATP53L3MBTL1
SCHEMBL6509220 0.80 NPC1 (0.48) LMNAHTR3A
SCHEMBL6509241 0.79 KMT2A (0.36) SMN1; SMN2TP53TDP1TSHR
SCHEMBL6498512 0.79 NPC1 (0.40) SMN1; SMN2

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 SMN1; SMN2 3733/4885TAS1R3 4345/4885TAS1R1 3158/4885

“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.