SCHEMBL4673422

SCHEMBL4673422

O=C(C=C(O)c1nc[nH]n1)c1occc1Oc1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDH1 P12830 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
MAPT P10636 1/20 0.31
PDGFRA P16234 1/20 0.30
KDR P35968 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
SCHEMBL4673610 0.90 MAPT (0.34) CTNNB1MEN1LMNAKMT2AMAPT
SCHEMBL4671915 0.89 KMT2A (0.36) MEN1LMNARECQLKMT2AHAO1
SCHEMBL4675207 0.89 PARP10 (0.30)
SCHEMBL4672137 0.88 CYP3A4 (0.40) LMNAHAO1
SCHEMBL4670593 0.87 MAPT (0.37) LMNAMAPT
SCHEMBL4673095 0.86 ALDH1A1 (0.34) KDR
SCHEMBL4672847 0.84 CXCL8 (0.36) MEN1RECQLKMT2AMAPT
SCHEMBL4674141 0.83 CDH1 (0.33) CDH1CTNNB1TCF7L2MEN1LMNA
SCHEMBL4672819 0.82 KMO (0.33) CDH1CTNNB1TCF7L2MAPT
SCHEMBL4672935 0.81 KDM4E (0.45) MEN1LMNAKMT2AHAO1MAPT

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-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
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 CDH1 2472/4885CTNNB1 218/4885TCF7L2 2250/4885

“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.