SCHEMBL5454794

SCHEMBL5454794

O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
PKM P14618 1/20 0.59
ALOX5 P09917 1/20 0.56
MAPT P10636 8/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAOB P27338 1/20 0.55
TNFRSF1A P19438 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX12 P18054 1/20 0.54
ATM Q13315 1/20 0.54
PTPN5 P54829 1/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51

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
SCHEMBL5454800 1.00 LMNA (0.59) LMNAALDH1A1KDM4EPKMALOX5
SCHEMBL29397122 0.91 ALOX5 (0.59) LMNAALDH1A1KDM4EPKMALOX5
SCHEMBL1225556 0.91 LMNA (0.65) LMNAALDH1A1KDM4EPKMMAPT
SCHEMBL1225557 0.91 LMNA (0.65) LMNAALDH1A1KDM4EPKMMAPT
Bromide SCHEMBL11834524 0.89 LMNA (0.63) LMNAALDH1A1KDM4EPKMMAPT
Bromide SCHEMBL11834530 0.89 LMNA (0.63) LMNAALDH1A1KDM4EPKMMAPT
SCHEMBL3064890 0.86 MAPT (0.68) LMNAALDH1A1KDM4EPKMMAPT
SCHEMBL3064887 0.86 MAPT (0.68) LMNAALDH1A1KDM4EPKMMAPT
SCHEMBL29406300 0.86 MAPT (0.68) LMNAALDH1A1KDM4EPKMMAPT
SCHEMBL979672 0.85 MAOB (0.63) LMNAALDH1A1KDM4EPKMMAPT

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
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD LMNA 2641/4885ALDH1A1 743/4885KDM4E 569/4885

“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.