SCHEMBL962686

SCHEMBL962686

Cc1nn(C)c(-n2cc(C)c3cccnc32)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
HPGD P15428 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
FEN1 P39748 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
MAPT P10636 1/20 0.34
KDM4D Q6B0I6 1/20 0.33
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
PDE10A Q9Y233 1/20 0.31
TNKS O95271 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL963252 0.88 ELANE (0.39) HTTHPGDCYP1A2CYP2C9FEN1
SCHEMBL964338 0.84 ALDH1A1 (0.46) HTTFEN1SMN1; SMN2L3MBTL1MAPT
SCHEMBL964336 0.84 ALDH1A1 (0.46) HTTFEN1SMN1; SMN2L3MBTL1MAPT
SCHEMBL965366 0.81 L3MBTL1 (0.34) FEN1SMN1; SMN2L3MBTL1ALDH1A1TRPM5
SCHEMBL965368 0.81 L3MBTL1 (0.34) FEN1SMN1; SMN2L3MBTL1ALDH1A1TRPM5
SCHEMBL965365 0.80 NPC1 (0.36) CYP1A2SMN1; SMN2CYP2C19MAPTALDH1A1
SCHEMBL962123 0.79 L3MBTL1 (0.40) HTTCYP1A2CYP2C9SMN1; SMN2CYP2C19
SCHEMBL963601 0.75 ENPP3 (0.42) HTTSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL963599 0.75 ENPP3 (0.42) HTTSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL967084 0.73 PPARG (0.38)

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 4 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
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO 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 HTT 3376/4885HPGD 598/4885CYP1A2 537/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HTT 3799/4885HPGD 378/4885CYP1A2 665/4885

“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.