SCHEMBL8299121

SCHEMBL8299121

COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 4/20 0.66
LMNA P02545 3/20 0.66
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 4/20 0.60
BLM P54132 1/20 0.60
MAPT P10636 4/20 0.59
HPGD P15428 1/20 0.59
GAA P10253 3/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL3970958 0.80 MAPT (0.68) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL14417610 0.80 MAPT (0.68) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL3970964 0.80 MAPT (0.68) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL22611880 0.75 ALDH1A1 (0.67) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL266652 0.74 PKM (0.77) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL266653 0.74 PKM (0.77) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL8299129 0.74 ALDH1A1 (0.69) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL8298584 0.72 LMNA (0.67) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL11307389 0.72 HTT (0.60) KMT2AALDH1A1SMN1; SMN2POLBGAA
SCHEMBL17237184 0.72 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2MAPTHPGD

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
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 KMT2A 4135/4885MEN1 3220/4885LMNA 3969/4885

“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.