SCHEMBL2558405

SCHEMBL2558405

O=C1Cc2c(nc(SCC3CC3)n(-c3ccc(OCC(F)(F)F)cc3)c2=O)N1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.40
PDE7A Q13946 3/20 0.38
VCP P55072 1/20 0.35
LIPE Q05469 10/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.32
MGAT2 Q10469 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2567364 0.96 PDE7A (0.41) FADS1PDE7AVCPLIPETSHR
SCHEMBL2561536 0.93 PDE7A (0.37) FADS1PDE7AVCPTSHRGAA
SCHEMBL2568118 0.92 FADS1 (0.43) FADS1LIPETSHRGAAKMT2A
SCHEMBL2566730 0.89 FADS1 (0.42) FADS1PDE7ALIPETSHRGAA
SCHEMBL2565032 0.88 TSHR (0.45) FADS1PDE7ALIPETSHRGAA
SCHEMBL2566878 0.87 PDE7A (0.35) FADS1PDE7A
SCHEMBL2570575 0.87 MGAT2 (0.40) FADS1VCPLIPEMGAT2
SCHEMBL2563697 0.86 TSHR (0.46) FADS1PDE7ALIPETSHRGAA
SCHEMBL2997555 0.86 FADS1 (0.46) FADS1LIPETSHRGAAKMT2A
SCHEMBL2561188 0.86 FADS1 (0.42) FADS1PDE7ALIPETSHRGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP claimed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO claimed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES FADS1 140/4885PDE7A 2399/4885VCP 4080/4885

“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.