SCHEMBL3475591

SCHEMBL3475591

CC(C)(C)C(=O)c1sc(NC(=O)c2ccccc2O)nc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.56
NPC1 O15118 11/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
RXFP1 Q9HBX9 2/20 0.56
HTT P42858 7/20 0.50
ALDH1A1 P00352 6/20 0.50
TP53 P04637 6/20 0.50
HSD17B10 Q99714 5/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
RCE1 Q9Y256 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
STAT3 P40763 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 5/20 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
SCHEMBL330258 0.84 TMPRSS4 (0.43) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL330373 0.84 KCNMA1 (0.50) KMT2AMEN1
SCHEMBL4267100 0.75 NPC1 (0.36) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL331571 0.73 NR1H4 (0.45) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL6101128 0.72 MAPT (0.42) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL23607124 0.70 CNR1 (0.71) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL329927 0.69 DHODH (0.54) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL331430 0.68 MAPT (0.53) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL4756512 0.68 RAB9A (0.70) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL4756657 0.68 RAB9A (0.59) RAB9ANPC1KMT2AMEN1RXFP1

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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A RAB9A 997/4885NPC1 896/4885KMT2A 4486/4885

“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.