SCHEMBL4282039

SCHEMBL4282039

O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.79
DCUN1D1 Q96GG9 11/20 0.67
UBE2M P61081 9/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
XBP1 P17861 1/20 0.60
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.57
KIT P10721 1/20 0.57
CXCR3 P49682 1/20 0.56

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
SCHEMBL4282043 1.00 EPHX2 (0.79) EPHX2DCUN1D1UBE2MMEN1KMT2A
SCHEMBL11417956 0.95 EPHX2 (0.87) EPHX2DCUN1D1UBE2MMEN1KMT2A
SCHEMBL2752512 0.89 EPHX2 (0.97) EPHX2DCUN1D1UBE2MMEN1KMT2A
SCHEMBL10943481 0.88 EPHX2 (1.00) EPHX2DCUN1D1UBE2MMEN1KMT2A
SCHEMBL3956820 0.86 EPHX2 (0.77) EPHX2DCUN1D1UBE2MMEN1KMT2A
SCHEMBL16570428 0.85 EPHX2 (0.72) EPHX2DCUN1D1UBE2MMEN1KMT2A
SCHEMBL18658205 0.84 EPHX2 (0.79) EPHX2DCUN1D1UBE2MMEN1KMT2A
SCHEMBL12474988 0.83 EPHX2 (0.66) EPHX2
SCHEMBL12474990 0.83 EPHX2 (0.66) EPHX2
SCHEMBL11311244 0.83 EPHX2 (0.69) EPHX2DCUN1D1UBE2MMEN1KMT2A

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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 EPHX2 397/4885DCUN1D1 3560/4885UBE2M 1927/4885

“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.