SCHEMBL4672847

SCHEMBL4672847

O=C(C=C(O)c1nc[nH]n1)c1occc1Oc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.36
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CAMK2A Q9UQM7 1/20 0.32
SENP2 Q9HC62 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL4670767 0.87 HTT (0.38) RAB9AKMT2APOLBMAPTSMN1; SMN2
SCHEMBL4673610 0.87 MAPT (0.34) RAB9AKMT2APOLBMAPTSMN1; SMN2
SCHEMBL4670704 0.85 RXRA (0.33) L3MBTL1
SCHEMBL4675173 0.84 RAB9A (0.33) CXCL8RAB9AKMT2APOLBMAPT
SCHEMBL4673422 0.84 CDH1 (0.33) KMT2AMAPTMEN1RECQL
SCHEMBL4672137 0.82 CYP3A4 (0.40)
SCHEMBL4671783 0.81 NLRP3 (0.35) KMT2APOLBSMN1; SMN2MEN1KDM4E
SCHEMBL4676769 0.81 CXCL8 (0.36) CXCL8RAB9AKMT2APOLBMAPT
SCHEMBL4670523 0.80 PKM (0.35) RAB9AKMT2APOLBMAPTMEN1
SCHEMBL4675207 0.80 PARP10 (0.30)

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 CXCL8 2193/4885RAB9A 2021/4885KMT2A 597/4885

“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.