SCHEMBL964296

SCHEMBL964296

Cc1nn(C)c(-n2ccc3cc(Cl)cnc32)c1C=CC(=O)NS(=O)(=O)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 0.33
FKBP1A P62942 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
CNR1 P21554 5/20 0.31
CNR2 P34972 4/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL964295 1.00 HPGD (0.36) HPGDGAAMAPTNR2F2HTT
SCHEMBL4565933 0.89 HPGD (0.39) HPGDMAPTNR2F2HTTSMN1; SMN2
SCHEMBL4565934 0.89 HPGD (0.39) HPGDMAPTNR2F2HTTSMN1; SMN2
SCHEMBL965168 0.88 NLRP3 (0.38) HPGDGAAKDM4EALDH1A1
SCHEMBL965171 0.88 NLRP3 (0.38) HPGDGAAKDM4EALDH1A1
SCHEMBL961685 0.87 MAPT (0.38) HPGDGAAMAPTNR2F2HTT
SCHEMBL961684 0.87 MAPT (0.38) HPGDGAAMAPTNR2F2HTT
SCHEMBL963440 0.85 NR3C1 (0.37) HPGDGAAMAPTNR2F2HTT
SCHEMBL963441 0.85 NR3C1 (0.37) HPGDGAAMAPTNR2F2HTT
SCHEMBL963031 0.83 ENPP3 (0.43) MAPTNR2F2HTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 HPGD 598/4885GAA 76/4885MAPT 4343/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HPGD 378/4885GAA 1120/4885MAPT 4720/4885

“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.