SCHEMBL5451793

SCHEMBL5451793

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
LMNA P02545 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 5/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39

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
SCHEMBL5464200 0.91 LMNA (0.40) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL5463601 0.91 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL5447006 0.90 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL5454384 0.89 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL5446152 0.85 NR3C2 (0.41) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL5452095 0.81 DPP4 (0.38) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL5449336 0.81 LMNA (0.42) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL5445063 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL5441354 0.80 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL5457936 0.79 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EHSD17B10HTT

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 1 patent. 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

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 ALDH1A1 743/4885LMNA 2641/4885KDM4E 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.