Sugi Predict

Sugi Predict / Compounds / SCHEMBL967577

SCHEMBL967577

SCHEMBL967577

Cc1nn(C)c(-n2ccc3c(Cl)cccc32)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ HSD11B1 P28845 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 3/20 0.34
▸ NPSR1 Q6W5P4 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ CCR4 P51679 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4554766 0.88 NOTUM (0.36) CYP1A2CYP2C9CYP2C19SMN1; SMN2NOTUM
SCHEMBL963202 0.87 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL964286 0.84 L3MBTL1 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2NOTUM
SCHEMBL964287 0.84 L3MBTL1 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2NOTUM
SCHEMBL965856 0.79 HTT (0.40) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL4554658 0.76 CYP1A2 (0.31) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL28944693 0.75 NOTUM (0.38) NOTUMHSD11B1KMT2AMAPT
SCHEMBL965606 0.75 SMN1; SMN2 (0.45) CYP1A2CYP2C9CYP2C19SMN1; SMN2HTT
SCHEMBL963702 0.75 SMN1; SMN2 (0.45) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL967508 0.73 PPARG (0.43) KMT2ALMNA

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 5 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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 — — CN 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 CYP1A2 537/4885CYP2C9 734/4885CYP2C19 660/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CYP1A2 665/4885CYP2C9 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.