SCHEMBL5792153

SCHEMBL5792153

CCOC(=O)C(C(=O)OCC)n1nccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
PIN1 Q13526 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
PDE4A P27815 1/20 0.33
NPC1 O15118 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4053266 0.82 NPSR1 (0.42) ALDH1A1LMNAHSD17B10GAAMEN1
SCHEMBL5591669 0.73 NLRP3 (0.41) ALDH1A1LMNAHSD17B10GAAMEN1
SCHEMBL5795696 0.71 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL5793135 0.69 PTGS2 (0.35) ALDH1A1LMNAHSD17B10GAAMEN1
SCHEMBL5306513 0.69 FAAH (0.49) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8906464 0.68 PIN1 (0.39) ALDH1A1LMNAHSD17B10GAAMEN1
SCHEMBL315410 0.67 HSD17B10 (0.49) ALDH1A1HSD17B10GAAMEN1KMT2A
SCHEMBL25196732 0.66 CYP26A1 (0.40) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL19716165 0.65 CYP4F2 (0.40) ALDH1A1LMNAHSD17B10GAAMEN1
SCHEMBL677833 0.64 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10GAAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007023018-A1 7-AMINO-6-TRIAZOLYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-03-01 WO disclosed
EP-1641788-A1 PREPARATION OF N2-ALKYLATED 1,2,3-TRIAZOLES Warner-Lambert Company LLC (US) 2006-04-05 EP disclosed
WO-2005000841-A1 PREPARATION OF N2-ALKYLATED 1,2,3-TRIAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-01-06 WO disclosed
US-20040266848-A1 Preparation of N2-alkylated 1,2,3-triazoles HADD MARK ALLEN (US) 2004-12-30 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 (1 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-20040266848-A1 Preparation of N2-alkylated 1,2,3-triazoles PPARA, PPARG, PPARD ALDH1A1 2267/4885LMNA 1736/4885HSD17B10 1909/4885

“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.