SCHEMBL4673558

SCHEMBL4673558

O=C(C=C(O)c1nc[nH]n1)c1coc(Oc2ccccc2Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 5/20 0.34
MEN1 O00255 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 3/20 0.34
TP53 P04637 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
MITF O75030 1/20 0.34
XBP1 P17861 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
SENP2 Q9HC62 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
POLB P06746 4/20 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
SCHEMBL4672006 0.88 HTT (0.36) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4671834 0.86 NFE2L2 (0.33) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4679125 0.85 MRGPRX4 (0.37) RAB9ANPC1RXRARXRB
SCHEMBL4679243 0.83 CDH1 (0.37) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL4675045 0.83 HPGD (0.34) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4674635 0.83 LMNA (0.36) RXRARXRBKDM4CMAPTABL1
SCHEMBL4675073 0.82 RAB9A (0.37) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4676970 0.80 NR4A2 (0.36) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4672847 0.79 CXCL8 (0.36) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4676117 0.79 PARP10 (0.32)

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 KMT2A 597/4885RAB9A 2021/4885NPC1 934/4885

“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.