SCHEMBL4675671

SCHEMBL4675671

O=C(Cc1cc(Oc2ccc(Cl)cc2)co1)C(=O)c1nc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
CDH1 P12830 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
P2RY14 Q15391 1/20 0.34
MMP1 P03956 3/20 0.33
LTA4H P09960 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
SENP2 Q9HC62 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4671058 0.89 MEN1 (0.34) MEN1KMT2AKDM4ELMNAPTGDR2
SCHEMBL4676175 0.89 PARP10 (0.33) MEN1KMT2ACYP3A4
SCHEMBL4673357 0.89 KDM4E (0.36) DAOKMT2AKDM4ELMNACYP1A2
SCHEMBL4675463 0.88 FKBP1A (0.37) MMP1KDM4E
SCHEMBL4673900 0.87 RAB9A (0.40) LMNAHPGD
SCHEMBL4677276 0.86 ALDH1A1 (0.37) P2RY14MMP1LTA4HEPHX2LMNA
SCHEMBL4675076 0.84 CXCL8 (0.35) MEN1KMT2ASENP2SENP1CYP1A2
SCHEMBL4678074 0.82 LMNA (0.33) DAOLMNA
SCHEMBL4675378 0.82 LMNA (0.39) MEN1KMT2AKDM4ELMNA
SCHEMBL4679246 0.81 P2RY14 (0.33) DAOCDH1CTNNB1TCF7L2P2RY14

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
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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 (1 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 DAO 661/4885CDH1 2472/4885CTNNB1 218/4885

“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.