SCHEMBL964636

SCHEMBL964636

CCCCNC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
MCL1 Q07820 2/20 0.34
IRAK4 Q9NWZ3 5/20 0.34
FBP1 P09467 1/20 0.33
LMNA P02545 1/20 0.33
ALB P02768 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
NR3C1 P04150 2/20 0.32
BCHE P06276 1/20 0.32
LIPE Q05469 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL963241 0.92 ALDH1A1 (0.36) ALDH1A1CYP2C9CYP2C19MCL1IRAK4
SCHEMBL962936 0.89 IRAK4 (0.35) ALDH1A1CYP2C9CYP2C19MCL1IRAK4
SCHEMBL962130 0.89 IRAK4 (0.35) ALDH1A1CYP2C9CYP2C19IRAK4BCHE
SCHEMBL964638 0.88 MAPT (0.35) ALDH1A1CYP2C9IRAK4FBP1LMNA
SCHEMBL963704 0.88 PPARG (0.40) IRAK4NR3C1
SCHEMBL965029 0.88 FBP1 (0.32) ALDH1A1CYP2C9IRAK4FBP1LMNA
SCHEMBL5120302 0.87 IRAK4 (0.34) ALDH1A1MCL1IRAK4LMNANR3C1
SCHEMBL964880 0.87 TP53 (0.37) ALDH1A1CYP2C9CYP2C19MCL1FBP1
SCHEMBL966425 0.86 MTNR1A (0.37) ALDH1A1CYP2C9FBP1LMNAALB
SCHEMBL963019 0.85 TP53 (0.37) ALDH1A1CYP2C9CYP2C19MCL1FBP1

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 ALDH1A1 421/4885CYP2C9 734/4885CYP2C19 660/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885CYP2C9 1086/4885CYP2C19 1025/4885

“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.