SCHEMBL5379403

SCHEMBL5379403

CCCCCc1cc(N)ccc1CCc1ccc(N)cc1CCCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TLR8 Q9NR97 5/20 0.44
HTR2A P28223 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
SRC P12931 1/20 0.42
LIPG Q9Y5X9 1/20 0.39
PRKCI P41743 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL5377545 0.98 MAPT (0.49) TYRTSHRMEN1TP53CYP3A4
SCHEMBL6835567 0.98 TYR (0.47) TYRTSHRMEN1TP53CYP3A4
SCHEMBL5377652 0.94 TYR (0.46) TYRTSHRMEN1TP53CYP3A4
SCHEMBL11347930 0.92 TYR (0.47) TYRTSHRMEN1TP53CYP3A4
SCHEMBL22271463 0.90 GPR84 (0.49) TYRTSHRMEN1TP53CYP3A4
SCHEMBL5831415 0.89 GPR84 (0.47) TYRTSHRMEN1TP53CYP3A4
SCHEMBL10708491 0.89 TSHR (0.47) TYRTSHRMEN1TP53CYP3A4
SCHEMBL5830961 0.89 GPR84 (0.51) TYRTSHRMEN1TP53CYP3A4
SCHEMBL10624456 0.89 GPR84 (0.51) TYRTSHRMEN1TP53CYP3A4
SCHEMBL25144469 0.88 TYR (0.44) TYRTSHRMEN1TP53CYP3A4

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 TYR 485/4885TSHR 4548/4885MEN1 3378/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TYR 314/4885TSHR 4491/4885MEN1 3668/4885

“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.