SCHEMBL4280019

SCHEMBL4280019

Nc1cc(C(=O)N2CCC(O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 4/20 0.50
RHOA P61586 4/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HIF1A Q16665 1/20 0.48
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HSD11B1 P28845 2/20 0.44
RBP4 P02753 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MGLL Q99685 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
CYP3A4 P08684 4/20 0.43
USP2 O75604 3/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13243066 0.92 RHOA (0.47) RHOCRHOAKDM4EGAATDP1
SCHEMBL13243068 0.92 RHOA (0.47) RHOCRHOAKDM4EGAATDP1
SCHEMBL4929358 0.85 KDM4E (0.65) KDM4EHIF1ALMNAPOLBHPGD
SCHEMBL13243072 0.85 KDM4E (0.70) KDM4EHIF1ALMNAPOLBHPGD
SCHEMBL24565722 0.84 MRGPRX4 (0.48) RHOCRHOAKDM4EGAATDP1
SCHEMBL30584223 0.82 EPHX2 (0.52) KDM4EHIF1ALMNAPOLBHPGD
SCHEMBL1265003 0.82 HIF1A (0.63) RHOCRHOAKDM4EHIF1ALMNA
SCHEMBL1013250 0.82 EPHX2 (0.52) KDM4EHIF1ALMNAPOLBHPGD
SCHEMBL13219880 0.82 KDM4E (0.51) RHOCRHOAKDM4EHIF1ALMNA
SCHEMBL24566221 0.81 KDM4E (0.46) RHOCRHOAKDM4EGAATDP1

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 RHOC 3916/4885RHOA 2499/4885KDM4E 229/4885

“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.