SCHEMBL965176

SCHEMBL965176

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1C=CC(=O)NS(=O)(=O)NCCCOC(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
NR2F2 P24468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PHGDH O43175 5/20 0.32
THRB P10828 1/20 0.32
CDK2 P24941 1/20 0.32
PLA2G4A P47712 1/20 0.31
MEN1 O00255 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
SCHEMBL965174 1.00 KMT2A (0.36) KMT2AUSP2HTTTSHRPPARG
SCHEMBL968493 0.96 MAPT (0.35) KMT2AUSP2HTTPPARGPOLB
SCHEMBL968497 0.96 MAPT (0.35) KMT2AUSP2HTTPPARGPOLB
SCHEMBL965582 0.89 MAPT (0.36) HTTPPARGMAPTNR2F2SMN1; SMN2
SCHEMBL965585 0.89 MAPT (0.36) HTTPPARGMAPTNR2F2SMN1; SMN2
SCHEMBL964830 0.88 MAPT (0.36) KMT2AHTTPPARGMAPTNR2F2
SCHEMBL965519 0.88 PPARG (0.37) HTTPPARGMAPTNR2F2SMN1; SMN2
SCHEMBL964832 0.88 MAPT (0.36) KMT2AHTTPPARGMAPTNR2F2
SCHEMBL965522 0.88 PPARG (0.37) HTTPPARGMAPTNR2F2SMN1; SMN2
SCHEMBL5116549 0.88 MAPT (0.38) KMT2AHTTPPARGMAPTNR2F2

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 KMT2A 1809/4885USP2 4346/4885HTT 3376/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG KMT2A 2017/4885USP2 4289/4885HTT 3799/4885

“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.