SCHEMBL3750983

SCHEMBL3750983

O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2cc(F)c(F)cc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
DPP4 P27487 3/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM1A O60341 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3750998 1.00 KMT2A (0.37) KMT2AMEN1RAB9AGAADPP4
SCHEMBL3750991 1.00 KMT2A (0.37) KMT2AMEN1RAB9AGAADPP4
SCHEMBL4789329 0.88 MEN1 (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4789328 0.88 MEN1 (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9239403 0.75 MEN1 (0.40) KMT2AMEN1RAB9AGAAALDH1A1
SCHEMBL12476630 0.74 KDM1A (0.36) KMT2AMEN1DPP4KDM1AKCNH2
SCHEMBL3746690 0.73 GAA (0.40) KMT2AMEN1GAADPP4ALDH1A1
SCHEMBL9238454 0.70 KMT2A (0.46) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL3752811 0.70 KDM1A (0.37) KMT2AMEN1DPP4KDM1AKCNH2
SCHEMBL17137863 0.70 MEN1 (0.31) KMT2AMEN1

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
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KMT2A 3017/4885MEN1 3172/4885RAB9A 4183/4885

“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.