SCHEMBL4676775

SCHEMBL4676775

O=C(Cc1cocc1Oc1ccccc1Cl)C(=O)c1nc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.41
HPGD P15428 2/20 0.38
CAMK2A Q9UQM7 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
SENP2 Q9HC62 1/20 0.35
SENP1 Q9P0U3 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.33
CHRM1 P11229 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL4675289 0.87 L3MBTL1 (0.38) MAPTPOLBRAB9ASMN1; SMN2TDP1
SCHEMBL4673542 0.85 CAMK2A (0.34) CAMK2ASMN1; SMN2KMT2A
SCHEMBL4675426 0.84 NOTUM (0.34) SMN1; SMN2HTT
SCHEMBL4672548 0.83 MEN1 (0.32) HPGDMAPTRAB9AHTTSENP2
SCHEMBL4675031 0.82 AR (0.36) POLBRAB9ASMN1; SMN2TDP1MEN1
SCHEMBL4672499 0.82 LMNA (0.35)
SCHEMBL4675176 0.82 CXCL8 (0.38) CXCL8HPGDCAMK2AMAPTPOLB
SCHEMBL4672851 0.80 CXCL8 (0.39) CXCL8HPGDCAMK2AMAPTPOLB
SCHEMBL4677979 0.80 PKM (0.33) HPGDMAPTPOLBRAB9ATDP1
SCHEMBL4671781 0.79 KMT2A (0.36) MAPTPOLBRAB9ASMN1; SMN2MEN1

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 2193/4885HPGD 2816/4885CAMK2A 2918/4885

“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.