SCHEMBL5388673

SCHEMBL5388673

Cc1cc(SOSc2cc(C)c(N)c(C)c2)cc(C)c1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL26307845 0.76 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL5388665 0.76 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL2853760 0.75 CA1 (0.48) ALDH1A1CYP3A4MAPTKDM4ELMNA
SCHEMBL3420647 0.75 TDP1 (0.48) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL7483884 0.74 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL27957716 0.70 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL2119684 0.70 ALDH1A1 (0.30) ALDH1A1TDP1MAPTMAPK1KDM4E
SCHEMBL5397993 0.70 HTT (0.44) ALDH1A1POLBMAPTHTT
SCHEMBL5381349 0.67 HMGCR (0.32) ALDH1A1MAPTHTT
SCHEMBL27301346 0.67 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4TSHRTP53

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 ALDH1A1 81/4885TDP1 2646/4885CYP3A4 1456/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 ALDH1A1 116/4885TDP1 3195/4885CYP3A4 1249/4885

“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.