SCHEMBL965210

SCHEMBL965210

CCCCNS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2ccc(OC(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.34
PPARG P37231 3/20 0.34
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
HDAC1 Q13547 2/20 0.31
PHGDH O43175 1/20 0.31
PTAFR P25105 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
SCHEMBL965208 1.00 PIM3 (0.34) PIM3PPARGMTNR1AMTNR1BHDAC1
SCHEMBL964970 0.92 MTNR1A (0.39) MTNR1AMTNR1BHDAC1PTAFR
SCHEMBL964972 0.92 MTNR1A (0.39) MTNR1AMTNR1BHDAC1PTAFR
SCHEMBL967691 0.92 ABL1 (0.34) MTNR1AMTNR1B
SCHEMBL967689 0.92 ABL1 (0.34) MTNR1AMTNR1B
SCHEMBL965978 0.92 KDM4E (0.32) MTNR1AMTNR1BHDAC1
SCHEMBL965979 0.92 KDM4E (0.32) MTNR1AMTNR1BHDAC1
SCHEMBL967666 0.91 MTNR1A (0.31) MTNR1AMTNR1BHDAC1
SCHEMBL967667 0.91 MTNR1A (0.31) MTNR1AMTNR1BHDAC1
SCHEMBL961621 0.89 MCL1 (0.32) PPARGMTNR1AMTNR1BHDAC1

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 PIM3 2575/4885PPARG 248/4885MTNR1A 310/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PIM3 3705/4885PPARG 3/4885MTNR1A 69/4885

“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.