SCHEMBL4846845

SCHEMBL4846845

CCc1nc(/C=C/c2cn(-c3ccccc3)nc2OCc2ccc(OCc3nc(-c4cccc(C(=O)NS(C)(=O)=O)c4)oc3C)c(OC)c2)cs1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 5/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
MYC P01106 1/20 0.33
SMPD1 P17405 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL4846885 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL4848381 0.92 PPARG (0.37) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL4853897 0.92 PPARG (0.37) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL4848387 0.92 PPARG (0.37) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL4852567 0.92 PPARG (0.39) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL4852593 0.92 PPARG (0.39) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL4893703 0.90 PPARG (0.34) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL4851158 0.90 SMN1; SMN2 (0.35) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL4851148 0.90 SMN1; SMN2 (0.35) SMN1; SMN2MAPTPPARGPPARALMNA
SCHEMBL4845808 0.88 PPARG (0.39) SMN1; SMN2MAPTPPARGPPARAKMT2A

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-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 SMN1; SMN2 4339/4885MAPT 4700/4885PPARG 536/4885

“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.