SCHEMBL964962

SCHEMBL964962

COCc1nn(C)c(Cl)c1C=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
PTK2 Q05397 1/20 0.33
AURKB Q96GD4 1/20 0.33
ALK Q9UM73 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29956110 0.81 PDE4A (0.34) IGF1RSRCAXLPTK2AURKB
SCHEMBL2931596 0.80 GAA (0.40) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29951537 0.80 PDE4A (0.38) IGF1RSRCAXLPTK2AURKB
SCHEMBL29953185 0.79 IGF1R (0.31) IGF1RSRCAXLPTK2AURKB
SCHEMBL2559732 0.79 IGF1R (0.31) IGF1RSRCAXLPTK2AURKB
SCHEMBL29955756 0.79 MPO (0.31)
SCHEMBL15331625 0.77
SCHEMBL15330103 0.77 ADRA1A (0.38)
SCHEMBL3605937 0.77 RAB9A (0.37) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2557729 0.76

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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 (3 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 L3MBTL1 2943/4885CYP1A2 537/4885CYP2C9 734/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG L3MBTL1 3858/4885CYP1A2 665/4885CYP2C9 1086/4885
US-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R L3MBTL1 3563/4885CYP1A2 137/4885CYP2C9 145/4885

“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.