SCHEMBL5451633

SCHEMBL5451633

COC(=O)C1=C(C)NC(CC(C)(C)C)=C(C#N)C1c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
TSHR P16473 3/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 3/20 0.44

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
SCHEMBL4124732 0.90 NR3C2 (0.47) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL4118573 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL5456955 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL4106662 0.84 CACNA1F (0.48) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL5451953 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL5447730 0.82 KDM4E (0.49) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL5441318 0.82 NR3C2 (0.50) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL5452381 0.80 KDM4E (0.39) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL5454344 0.80 KDM4E (0.42) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL5464109 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10NPSR1TSHR

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 743/4885KDM4E 569/4885HSD17B10 247/4885

“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.