SCHEMBL963202

SCHEMBL963202

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 3/20 0.37
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NQO2 P16083 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 5/20 0.33
NPSR1 Q6W5P4 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FABP4 P15090 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
POLB P06746 2/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4554658 0.88 CYP1A2 (0.31) CYP1A2CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL967577 0.87 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL962154 0.83 ALDH1A1 (0.48) HPGDHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL962156 0.83 ALDH1A1 (0.48) HPGDHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL965856 0.81 HTT (0.40) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL4554766 0.76 NOTUM (0.36) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL27772588 0.74 FABP4 (0.31) KDM4EFABP4
SCHEMBL961972 0.74 ROCK1 (0.41) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL962802 0.73 MAPT (0.45) MAPT
SCHEMBL965187 0.73 HTR2A (0.35) CYP1A2CYP2C9CYP2C19HPGDHTT

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 6 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-2132988-A1 Isothiazole carboxylic acid amides and their use in the protection of plants Bayer CropScience AG (DE) 2009-12-16 EP 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.