SCHEMBL6499268

SCHEMBL6499268

COc1ccc(NC(=O)NCCC2SC(NC3CCCCCC3)=NC2=O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
PDGFRA P16234 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6506411 0.89 SMN1; SMN2 (0.44) SMN1; SMN2TAS1R3TAS1R1L3MBTL1MAPT
SCHEMBL6499488 0.86 KMT2A (0.56) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL6388645 0.85 L3MBTL1 (0.60) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL6390689 0.82 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6500692 0.81 RAB9A (0.52) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL6506803 0.81 POLB (0.54) ALDH1A1HPGDKMT2ANPC1RAB9A
SCHEMBL6388618 0.81 POLB (0.54) ALDH1A1HPGDKMT2ANPC1RAB9A
SCHEMBL6502145 0.79 NPC1 (0.50) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL6502232 0.79 KMT2A (0.50) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL6501631 0.79 POLB (0.51) ALDH1A1HPGDNPC1RAB9AL3MBTL1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed

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 ALDH1A1 67/4885HPGD 66/4885SMN1; SMN2 3733/4885

“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.