SCHEMBL2084672

SCHEMBL2084672

COC(=O)c1ccc(Cl)c2[nH]c(=O)n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
ABL1 P00519 1/20 0.38
CHEK1 O14757 1/20 0.37
MET P08581 1/20 0.37
GSK3B P49841 1/20 0.37
LIMK1 P53667 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3205341 0.82 KMT2A (0.39) GAARXFP1MEN1KMT2AMAPT
SCHEMBL2085798 0.80 KDM4E (0.39) GAAKDM4EGLACHEK1MET
SCHEMBL2084410 0.74 DAO (0.43) NR4A2GAAKDM4EGLAALDH1A1
SCHEMBL24165535 0.72 KDM4E (0.43) NR4A2GAAKDM4EGLACHEK1
SCHEMBL2082774 0.72 KDM4E (0.38) GAAKDM4EGLACHEK1MET
SCHEMBL27298141 0.71 KDM4E (0.42) NR4A2GAAKDM4EGLACHEK1
SCHEMBL2085524 0.70 PDE4A (0.40) NR4A2KDM4EABL1MEN1KMT2A
SCHEMBL30183847 0.69 LMNA (0.45) NR4A2MEN1KMT2AMAPTBRD4
SCHEMBL23565871 0.68 GAA (0.51) NR4A2GAAKDM4EGLAABL1
SCHEMBL18191067 0.68 ABL1 (0.43) GAAKDM4EGLAABL1MAPT

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-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 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 (2 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 NR4A2 20/4885GAA 4531/4885KDM4E 1168/4885
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 NR4A2 91/4885GAA 3553/4885KDM4E 2626/4885

“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.