SCHEMBL5457263

SCHEMBL5457263

CC1=C(C(=O)O)C(c2ccc(OCc3ccccc3)cc2)C(C#N)=C(CC(C)C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 2/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL5449336 0.83 LMNA (0.42) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL5463601 0.81 ALDH1A1 (0.50) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL5454285 0.80 ALDH1A1 (0.52) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL5445083 0.79 CACNA1F (0.58) LMNAGAAKDM4EALDH1A1L3MBTL1
SCHEMBL5441354 0.78 ALDH1A1 (0.39) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL3036231 0.77 MAOB (0.54) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL4106662 0.74 CACNA1F (0.48) GAAKDM4EMAPTALDH1A1GLA
SCHEMBL5457936 0.73 ALDH1A1 (0.38) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL5447133 0.73 CACNA1F (0.60) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL5451793 0.73 ALDH1A1 (0.44) LMNAGAAKDM4EMAPTALDH1A1

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 2641/4885GAA 964/4885KDM4E 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.