SCHEMBL965064

SCHEMBL965064

CCCCNC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MTNR1A P48039 13/20 0.40
MTNR1B P49286 11/20 0.40
DYRK1A Q13627 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL963019 0.89 TP53 (0.37) TP53KMT2AHPGD
SCHEMBL5115230 0.87 MTNR1A (0.39) TP53MTNR1AMTNR1BMEN1KMT2A
SCHEMBL966068 0.87 SHMT2 (0.38) TP53MTNR1AMTNR1B
SCHEMBL963219 0.87 MAPT (0.35) TP53HPGD
SCHEMBL961699 0.84 CYP2C9 (0.34) TP53
SCHEMBL964880 0.84 TP53 (0.37) TP53KMT2AHPGD
SCHEMBL966058 0.84 TP53 (0.38) TP53KMT2A
SCHEMBL963241 0.81 ALDH1A1 (0.36) TP53KMT2AHPGD
SCHEMBL962203 0.80 MTNR1A (0.35) TP53MTNR1AMTNR1BMEN1KMT2A
SCHEMBL966425 0.80 MTNR1A (0.37) MTNR1AKMT2A

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 TP53 2149/4885MTNR1A 310/4885MTNR1B 243/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TP53 1057/4885MTNR1A 69/4885MTNR1B 91/4885

“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.