SCHEMBL1399671

SCHEMBL1399671

COC(=O)COC1CCC(c2ccc(NC(=O)C(=O)OC)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 7/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
MAPK1 P28482 7/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1399672 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHPGDSMN1; SMN2PKM
SCHEMBL1399740 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2PKM
SCHEMBL1399743 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2PKM
SCHEMBL1399630 0.90 MAPT (0.38) ALDH1A1MAPTHPGDSMN1; SMN2PKM
SCHEMBL1399628 0.90 MAPT (0.38) ALDH1A1MAPTHPGDSMN1; SMN2PKM
SCHEMBL3927315 0.86 HCAR3 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2PKM
SCHEMBL1399762 0.86 DGAT1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2PKM
SCHEMBL1399760 0.86 DGAT1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2PKM
SCHEMBL1399612 0.81 MAPT (0.37) ALDH1A1MAPTHPGDSMN1; SMN2PKM
SCHEMBL1399610 0.81 MAPT (0.37) ALDH1A1MAPTHPGDSMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 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-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES DGAT1, ACAT1, DGAT2 ALDH1A1 112/4885MAPT 2285/4885HPGD 1301/4885

“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.