SCHEMBL5378028

SCHEMBL5378028

CCCCCCc1cc(SOSc2cc(CCCCCC)c(N)c(CCCCCC)c2)cc(CCCCCC)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
TYR P14679 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 2/20 0.39
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL5377513 0.98 ALOX5 (0.39) ALOX5CYP3A4MAPTMEN1TP53
SCHEMBL5385973 0.93 TYR (0.38) ALOX5CYP3A4MAPTMEN1TP53
SCHEMBL5381349 0.85 HMGCR (0.32) MAPTHTTALDH1A1
SCHEMBL5378026 0.84 ALOX5 (0.41) ALOX5CYP3A4MAPTMEN1TP53
SCHEMBL5381223 0.82 ALOX5 (0.41) ALOX5CYP3A4MAPTMEN1TP53
SCHEMBL5377508 0.82 TLR8 (0.40) ALOX5CYP3A4MAPTMEN1TP53
SCHEMBL5379533 0.80 MAPT (0.41) ALOX5CYP3A4MAPTMEN1TP53
SCHEMBL5397993 0.77 HTT (0.44) MAPTHTTALDH1A1
SCHEMBL5388379 0.77 HTR2A (0.41) ALOX5CYP3A4MAPTMEN1TP53
SCHEMBL14003767 0.76 PTGS2 (0.53) CYP3A4TP53HTR2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202359-B2 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2007-04-10 US disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 US disclosed
US-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-08 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 (2 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-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 ALOX5 137/4885CYP3A4 1456/4885MAPT 2811/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 ALOX5 112/4885CYP3A4 1249/4885MAPT 2734/4885

“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.