SCHEMBL5455219

SCHEMBL5455219

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 3/20 0.39
ABCC1 P33527 1/20 0.39
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
POLB P06746 2/20 0.38
GLA P06280 1/20 0.35

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
SCHEMBL5441318 0.92 NR3C2 (0.50) NR3C2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL5449300 0.89 NR3C2 (0.39) NR3C2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL5445063 0.86 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4ELMNAHTT
SCHEMBL5446152 0.85 NR3C2 (0.41) NR3C2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL5452381 0.85 KDM4E (0.39) NR3C2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL5454344 0.85 KDM4E (0.42) ALDH1A1HSD17B10KDM4ELMNAHTT
SCHEMBL5451700 0.83 NR3C2 (0.39) NR3C2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL4124732 0.83 NR3C2 (0.47) NR3C2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL5442885 0.83 NR3C2 (0.38) NR3C2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL5454322 0.81 ALDH1A1 (0.38) NR3C2ALDH1A1HSD17B10KDM4ELMNA

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 NR3C2 1226/4885ALDH1A1 743/4885HSD17B10 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.