SCHEMBL4159545

SCHEMBL4159545

CC(C)(C)OC(=O)C(N)c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
PAX8 Q06710 1/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 3/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 2/20 0.44
CASP1 P29466 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 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
SCHEMBL23845239 0.77 HDAC3 (0.48) ALOX5LOXL2PAX8RAB9AHPGD
SCHEMBL8060767 0.75 ALOX5 (0.53) ALOX5LOXL2PAX8RAB9AHPGD
SCHEMBL7723001 0.74 HPGD (0.53) ALOX5LOXL2RAB9AHPGDCYP1A2
SCHEMBL6560408 0.74 HPGD (0.49) ALOX5LOXL2PAX8RAB9AHPGD
SCHEMBL8373326 0.74 HDAC3 (0.45) ALOX5LOXL2PAX8RAB9AHPGD
SCHEMBL23832973 0.73 HDAC3 (0.48) ALOX5LOXL2PAX8RAB9AHPGD
SCHEMBL23833139 0.73 HDAC3 (0.48) ALOX5LOXL2PAX8RAB9AHPGD
SCHEMBL23832970 0.73 HDAC3 (0.48) ALOX5LOXL2PAX8RAB9AHPGD
SCHEMBL3962528 0.71 RAB9A (0.56) ALOX5LOXL2RAB9AHPGDCYP1A2
SCHEMBL11165753 0.71 ALOX5 (0.62) ALOX5LOXL2RAB9AHPGDCYP1A2

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-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2009-07-09 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-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS RXFP3, NR3C1, NR2E3 ALOX5 1313/4885LOXL2 1152/4885PAX8 274/4885

“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.