SCHEMBL5377780

SCHEMBL5377780

CC(C)(C)c1cc(N)ccc1CCc1ccc(N)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
NR1H2 P55055 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.38
NR1H4 Q96RI1 3/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP19A1 P11511 2/20 0.34
CASP1 P29466 1/20 0.33
PRKCI P41743 1/20 0.33
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL17307265 0.85 TSHR (0.38) GAATSHRMAPTMAPK1HTT
SCHEMBL30987853 0.81 TSHR (0.44) GAATSHRMAPTMAPK1HTT
SCHEMBL2379371 0.81 TSHR (0.44) GAATSHRMAPTMAPK1HTT
SCHEMBL24278774 0.77 PRKCI (0.36) GAATSHRMAPTMAPK1HTT
SCHEMBL30279132 0.77 PRKCI (0.40) GAATSHRMAPTMAPK1HTT
SCHEMBL25041795 0.77 PRKCI (0.40) GAATSHRMAPTMAPK1HTT
SCHEMBL10442609 0.76 CYP1A2 (0.47) GAATSHRMAPTALDH1A1NPC1
SCHEMBL397154 0.75 PRKCI (0.39) GAATSHRMAPTMAPK1HTT
SCHEMBL398357 0.75 CASP1 (0.48) GAATSHRMAPTMAPK1HTT
SCHEMBL2153358 0.75 TSHR (0.60) GAATSHRMAPTMAPK1HTT

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 GAA 1145/4885TSHR 4548/4885MAPT 2811/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 GAA 1031/4885TSHR 4491/4885MAPT 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.