SCHEMBL5477108

SCHEMBL5477108

N#CCCN1CCOCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 6/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 6/20 0.36
CYP1A2 P05177 5/20 0.36
CASP1 P29466 5/20 0.36
CASP7 P55210 5/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 3/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PER2 O15055 2/20 0.35
CRY2 Q49AN0 1/20 0.35

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
SCHEMBL6304673 0.81 PER2 (0.39) GAAALDH1A1CYP1A2SMN1; SMN2CYP2C19
SCHEMBL24137051 0.81 PER2 (0.34) GAASMN1; SMN2POLBPRMT5WDR77
SCHEMBL1446194 0.79 PRMT5 (0.38) GAASMN1; SMN2POLBPRMT5WDR77
SCHEMBL1446411 0.77 PRMT5 (0.37) GAASMN1; SMN2POLBPRMT5WDR77
SCHEMBL31126065 0.77 POLB (0.40) GAASMN1; SMN2POLBPRMT5WDR77
SCHEMBL4035338 0.77 PRMT5 (0.37) GAASMN1; SMN2POLBPRMT5WDR77
SCHEMBL24802723 0.77 PRMT5 (0.37) GAASMN1; SMN2POLBPRMT5WDR77
SCHEMBL6893925 0.77 PER2 (0.37) GAAALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL21329587 0.77 F10 (0.37) GAASMN1; SMN2POLBPRMT5WDR77
SCHEMBL824835 0.77 KDM4E (0.41) GAAALDH1A1KMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 US disclosed
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 US disclosed
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 US disclosed
EP-1668004-A1 BENZOXAZOLE ACETONITRILES Applied Research Systems ARS Holding N.V. (AN) 2006-06-14 EP disclosed
WO-2005026159-A1 BENZOXAZOLE ACETONITRILES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO disclosed
WO-2005026159-A1 BENZOXAZOLE ACETONITRILES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO 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-20070185104-A1 Benzoxazole acetonitriles PKD1, PC, GPR119 GAA 3723/4885HTT 2929/4885ALDH1A1 2797/4885

“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.