SCHEMBL5381501

SCHEMBL5381501

CC(C)c1cc(Sc2cc(C(C)C)c(N)c(C(C)C)c2)cc(C(C)C)c1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
GABRA1 P14867 3/20 0.30
GABRB1 P18505 3/20 0.30
GABRB2 P47870 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
SCHEMBL8796935 0.83 SLC6A4 (0.33) CA1CA2GAAPOLBGFER
SCHEMBL5381511 0.79 POLB (0.32) GAAPOLBGFERGABRA1GABRB1
SCHEMBL8797567 0.76 ALDH1A1 (0.46) CA2POLBALDH1A1HTT
SCHEMBL461449 0.76 CA1 (0.55) CA1CA2GAAPOLBGFER
SCHEMBL2155116 0.76 ALDH1A1 (0.38) CA1CA2GAAPOLBGFER
SCHEMBL9701896 0.75 CA1 (0.61) CA1CA2GAAALDH1A1ALOX12
SCHEMBL5382681 0.75 CYP3A4 (0.37) GAAPOLBGFERALDH1A1ALOX12
SCHEMBL16706079 0.74 CA1 (0.30) CA1CA2
Hydrochloric Acid SCHEMBL5431425 0.74 GAA (0.38) CA1CA2GAAPOLBGFER
SCHEMBL3440745 0.74 GABRA1 (0.50) CA1CA2GAAPOLBGFER

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 CA1 2550/4885CA2 4496/4885GAA 1145/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 CA1 2562/4885CA2 4419/4885GAA 1031/4885

“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.