SCHEMBL5455770

SCHEMBL5455770

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR3C2 P08235 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
SCHEMBL5457263 0.89 LMNA (0.41) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL5451765 0.85 NR3C2 (0.46) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL5457503 0.84 NR3C2 (0.48) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL5452965 0.82 ALDH1A1 (0.51) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL5449869 0.81 ALDH1A1 (0.37) MAPTLMNAALDH1A1KDM4EALOX15
SCHEMBL5449799 0.79 NR3C2 (0.40) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL5445083 0.78 CACNA1F (0.58) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5450506 0.76 NR3C2 (0.38) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL5446311 0.74 ALDH1A1 (0.41) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL4106662 0.74 CACNA1F (0.48) MAPTALDH1A1KDM4EMEN1KMT2A

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 MAPT 4676/4885LMNA 2641/4885ALDH1A1 743/4885

“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.