SCHEMBL963496

SCHEMBL963496

Cc1nn(C)c(-n2nc(C)c3ccccc32)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
HPGD P15428 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GLS O94925 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
IMPDH2 P12268 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL963891 0.88 CYP1A2 (0.45) HTTHPGDCYP1A2CYP2C9LMNA
SCHEMBL4554402 0.87 GLS (0.37) HTTHPGDCYP1A2CYP2C9LMNA
SCHEMBL965897 0.82 ALDH1A1 (0.51) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL965896 0.82 ALDH1A1 (0.51) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL964450 0.78 NPC1 (0.36) HTTSMN1; SMN2L3MBTL1GLSALDH1A1
SCHEMBL964449 0.78 NPC1 (0.36) HTTSMN1; SMN2L3MBTL1GLSALDH1A1
SCHEMBL963508 0.78 HTT (0.42) HTTHPGDCYP1A2CYP2C9LMNA
SCHEMBL964447 0.77 NPC1 (0.40) HPGDCYP1A2CYP2C9LMNASMN1; SMN2
Formamide SCHEMBL11970874 0.73 GLS (0.47) HPGDCYP1A2CYP2C9LMNASMN1; SMN2
SCHEMBL965856 0.73 HTT (0.40) HTTHPGDCYP1A2CYP2C9LMNA

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.