SCHEMBL4676769

SCHEMBL4676769

O=C(C=C(O)c1nc[nH]n1)c1cocc1Oc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.36
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CAMK2A Q9UQM7 1/20 0.32
SENP2 Q9HC62 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
AKR1C3 P42330 1/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL4675284 0.87 HTT (0.40) RAB9APOLBMAPTSMN1; SMN2HTT
SCHEMBL4673539 0.87 CTNNB1 (0.33) MAPTSMN1; SMN2HTT
SCHEMBL4675422 0.85 RXRA (0.33)
SCHEMBL4672547 0.84 CDH1 (0.33) RAB9ATDP1MAPT
SCHEMBL4672494 0.82 LMNA (0.39) RAB9AMAPTKDM4C
SCHEMBL4675173 0.82 RAB9A (0.33) CXCL8RAB9APOLBTDP1MAPT
SCHEMBL4672847 0.81 CXCL8 (0.36) CXCL8RAB9APOLBTDP1MAPT
SCHEMBL4677976 0.80 PKM (0.37) MAPTKMT2AMEN1PKM
SCHEMBL4675027 0.80 AR (0.33) POLBTDP1SMN1; SMN2TP53HTT
SCHEMBL4671775 0.80 GAA (0.34) RAB9APOLBTDP1MAPTRECQL

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 2021/4885POLB 58/4885

“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.