SCHEMBL963252

SCHEMBL963252

Cc1nn(C)c(-n2cc(Cl)c3cccnc32)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
TNKS O95271 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 3/20 0.34
FEN1 P39748 1/20 0.33
RORC P51449 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.32
ERN1 O75460 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
SCHEMBL962686 0.88 HTT (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19TNKS
SCHEMBL963132 0.85 L3MBTL1 (0.48) ELANESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL963133 0.85 L3MBTL1 (0.48) ELANESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL962824 0.81 ELANE (0.37) ELANETNKSL3MBTL1RORC
SCHEMBL962825 0.81 ELANE (0.37) ELANETNKSL3MBTL1RORC
SCHEMBL962822 0.81 ELANE (0.37) ELANESMN1; SMN2HTTL3MBTL1HPGD
SCHEMBL5126136 0.80 ELANE (0.36) ELANESMN1; SMN2HTTL3MBTL1HTR6
SCHEMBL5126154 0.80 ELANE (0.36) ELANESMN1; SMN2HTTL3MBTL1HTR6
SCHEMBL5126147 0.79 ELANE (0.36) ELANESMN1; SMN2TNKSHTTL3MBTL1
SCHEMBL962123 0.77 L3MBTL1 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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 ELANE 2515/4885SMN1; SMN2 3745/4885CYP1A2 537/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ELANE 3595/4885SMN1; SMN2 4710/4885CYP1A2 665/4885

“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.