SCHEMBL12521900

SCHEMBL12521900

CN(CCCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1nc2ccccc2s1

nearest known ligand 0.91

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.91
HPGD P15428 4/20 0.53
HDAC4 P56524 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PIM1 P11309 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
CISD1 Q9NZ45 2/20 0.52
PTPN11 Q06124 1/20 0.50

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
SCHEMBL2177332 0.95 PPARG (1.00) PPARGHPGDHDAC4HDAC8PIM1
SCHEMBL12520491 0.95 PPARG (1.00) PPARGHPGDHDAC4HDAC8PIM1
SCHEMBL2177329 0.95 PPARG (1.00) PPARGHPGDHDAC4HDAC8PIM1
SCHEMBL12521729 0.86 PPARG (1.00) PPARGHPGDHDAC4HDAC8PIM1
SCHEMBL12521723 0.85 PPARG (0.78) PPARGHPGDHDAC4HDAC8PIM1
SCHEMBL2177341 0.85 PPARG (0.81) PPARGHDAC4HDAC8
SCHEMBL2178690 0.83 PPARG (0.80) PPARGHPGD
SCHEMBL1847312 0.83 PPARG (0.80) PPARGHPGD
SCHEMBL1848112 0.81 PPARG (0.61) PPARGHPGDPIM1PIM2CISD1
SCHEMBL1848111 0.81 PPARG (0.61) PPARGHPGDPIM1PIM2CISD1

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
WO-2011091033-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2011-07-28 WO disclosed
US-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2010-07-22 US disclosed
US-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2010-07-22 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-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS PPARG, PPARA, PPARD PPARG 1/4885HPGD 1116/4885HDAC4 391/4885

“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.