SCHEMBL3510341

SCHEMBL3510341

CC(C)(C)CNC(=O)c1ccc(Oc2ccc(N)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
ERBB2 P04626 6/20 0.46
PNLIP P16233 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
MAPK14 Q16539 2/20 0.43
ESRRA P11474 1/20 0.42
PDE7A Q13946 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 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
SCHEMBL25353868 0.87 ERBB2 (0.56) EPHX2NR1H4ERBB2MAPK14MEN1
SCHEMBL3484767 0.84 ACACB (0.43) EPHX2NR1H4ERBB2PNLIP
SCHEMBL3509494 0.82 ALDH1A1 (0.62) PDE7AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3507398 0.80 MRGPRX4 (0.46) EPHX2NR1H4ERBB2PTGDR2ALDH1A1
SCHEMBL2748866 0.78 ESRRA (0.45) EPHX2NR1H4PNLIPESRRAPDE7A
SCHEMBL27684228 0.76 PDE7A (0.46) EPHX2NR1H4PNLIPESRRAPDE7A
SCHEMBL16492362 0.75 PDE7A (0.49) PNLIPPDE7AALDH1A1SMN1; SMN2MEN1
SCHEMBL28880745 0.74 PNLIP (0.46) NR1H4PNLIPESRRAPDE7AMEN1
SCHEMBL3484062 0.73 ERBB2 (0.46) ERBB2
SCHEMBL10323127 0.72 KDM4E (0.65) EPHX2NR1H4ALDH1A1SMN1; SMN2LMNA

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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 WO 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 EPHX2 1987/4885NR1H4 746/4885ERBB2 195/4885

“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.