SCHEMBL5377899

SCHEMBL5377899

CC(C)(C)c1cc(CCc2cc(C(C)(C)C)c(N)cc2C(C)(C)C)c(C(C)(C)C)cc1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
HSPA5 P11021 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL2153631 0.83 ALDH1A1 (0.43) GAASMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL167353 0.76 AR (0.42) HTR2ASMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL30301220 0.76 AR (0.42) HTR2ASMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL560086 0.75 PTK2 (0.41) GAASMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL25814732 0.73 HSPA5 (0.37) HTR2ASMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL13561409 0.72 PTK2 (0.44) GAASMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL10385743 0.71 CYP3A4 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2MAPT
SCHEMBL5377780 0.71 GAA (0.39) HTR2AGAAALDH1A1MAPT
SCHEMBL342519 0.71 ATM (0.36) ALDH1A1CYP1A2ALOX15HIF1A
SCHEMBL29779645 0.71 ATM (0.36) ALDH1A1CYP1A2ALOX15HIF1A

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 HTR2A 2472/4885GAA 1145/4885SMN1; SMN2 2364/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 HTR2A 2448/4885GAA 1031/4885SMN1; SMN2 2556/4885

“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.