SCHEMBL966561

SCHEMBL966561

CCCCS(=O)(=O)NC(=O)NCCc1c(C)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
ENPP3 O14638 2/20 0.35
BRAF P15056 5/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.33
ENPP2 Q13822 1/20 0.33
ENPP1 P22413 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MCL1 Q07820 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
SCHEMBL966983 0.97 MTNR1A (0.37) MTNR1AMAPTLMNAENPP3BRAF
SCHEMBL966425 0.93 MTNR1A (0.37) MTNR1AMAPTLMNAENPP3BRAF
SCHEMBL964053 0.86 PPARG (0.38) MTNR1AENPP3BRAFENPP2KMT2A
SCHEMBL967854 0.84 ENPP3 (0.35) MTNR1AENPP3BRAFENPP2ENPP1
SCHEMBL5119217 0.83 ENPP3 (0.39) MTNR1AENPP3BRAFENPP1ALDH1A1
SCHEMBL963241 0.81 ALDH1A1 (0.36) MAPTLMNATP53POLBALDH1A1
SCHEMBL963043 0.80 BRAF (0.38) MTNR1AENPP3BRAFTP53ENPP2
SCHEMBL964636 0.80 ALDH1A1 (0.35) LMNATP53POLBALDH1A1MCL1
SCHEMBL27793952 0.79 RXFP1 (0.37) MTNR1ABRAFTP53POLBENPP2
SCHEMBL963042 0.79 TP53 (0.40) TP53POLBMCL1

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 MTNR1A 310/4885MAPT 4343/4885LMNA 3775/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MTNR1A 69/4885MAPT 4720/4885LMNA 3461/4885

“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.