SCHEMBL965979

SCHEMBL965979

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

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
MAPT P10636 3/20 0.31
MCL1 Q07820 2/20 0.31
HDAC1 Q13547 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ADA P00813 1/20 0.30
ABL1 P00519 1/20 0.30
PTGS2 P35354 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL965978 1.00 KDM4E (0.32) KDM4ETSHRHSD17B10MTNR1AMTNR1B
SCHEMBL961621 0.93 MCL1 (0.32) MTNR1AMTNR1BMAPTMCL1HDAC1
SCHEMBL961624 0.93 MCL1 (0.32) MTNR1AMTNR1BMAPTMCL1HDAC1
SCHEMBL964972 0.93 MTNR1A (0.39) MTNR1AMTNR1BHDAC1PTGS2KMT2A
SCHEMBL964970 0.93 MTNR1A (0.39) MTNR1AMTNR1BHDAC1PTGS2KMT2A
SCHEMBL966393 0.93 PPARG (0.38) MTNR1AMTNR1BMCL1ADA
SCHEMBL966394 0.93 PPARG (0.38) MTNR1AMTNR1BMCL1ADA
SCHEMBL967666 0.92 MTNR1A (0.31) MTNR1AMTNR1BHDAC1
SCHEMBL965210 0.92 PIM3 (0.34) MTNR1AMTNR1BHDAC1
SCHEMBL965208 0.92 PIM3 (0.34) MTNR1AMTNR1BHDAC1

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 KDM4E 1314/4885TSHR 2640/4885HSD17B10 125/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG KDM4E 1776/4885TSHR 237/4885HSD17B10 189/4885

“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.