SCHEMBL3752811

SCHEMBL3752811

O=CC1=C(Br)C[C@H](c2cc(F)c(F)cc2F)[C@@H]([N+](=O)[O-])C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.37
KCNH2 Q12809 2/20 0.37
KDM1B Q8NB78 2/20 0.37
DPP4 P27487 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3752814 1.00 KDM1A (0.37) KDM1AKCNH2KDM1BDPP4MEN1
SCHEMBL3752821 1.00 KDM1A (0.37) KDM1AKCNH2KDM1BDPP4MEN1
SCHEMBL3744852 0.78 KDM1A (0.33) KDM1AKCNH2KDM1B
SCHEMBL3744847 0.78 KDM1A (0.33) KDM1AKCNH2KDM1B
SCHEMBL3744845 0.78 KDM1A (0.33) KDM1AKCNH2KDM1B
SCHEMBL3742828 0.76 DPP4 (0.35) DPP4MEN1KMT2A
SCHEMBL3742830 0.76 DPP4 (0.35) DPP4MEN1KMT2A
SCHEMBL12476630 0.70 KDM1A (0.36) KDM1AKCNH2KDM1BDPP4MEN1
SCHEMBL3750998 0.70 KMT2A (0.37) KDM1AKCNH2KDM1BDPP4MEN1
SCHEMBL3750983 0.70 KMT2A (0.37) KDM1AKCNH2KDM1BDPP4MEN1

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 KDM1A 2597/4885KCNH2 3539/4885KDM1B 2470/4885

“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.