SCHEMBL5015477

SCHEMBL5015477

O=C(O)c1cccc(C(=O)N2C=COC(C3=CC=CCC3)=C2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.33
AKR1C3 P42330 1/20 0.33
KMO O15229 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FOLH1 Q04609 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30
CA12 O43570 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
SCHEMBL5010854 0.89 RBP4 (0.35) ALDH1A1MEN1GAAKMT2AEPHX1
SCHEMBL4898773 0.83
SCHEMBL5012555 0.82
SCHEMBL4892184 0.82 SLC22A12 (0.32)
SCHEMBL5014209 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL4901859 0.80 SLC22A12 (0.32) CYP2C9
SCHEMBL5012626 0.79 CRBN (0.33) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL4899144 0.79 SLC22A12 (0.36) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL5015499 0.78 HPGD (0.36) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL4902300 0.76 KMT2A (0.33) KMT2A

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
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP claimed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US claimed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 L3MBTL3 3591/4885AKR1C3 345/4885KMO 860/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 L3MBTL3 2354/4885AKR1C3 1574/4885KMO 1518/4885

“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.