SCHEMBL4675176

SCHEMBL4675176

O=C(Cc1ccoc1Oc1ccccc1Cl)C(=O)c1nc[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.38
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CAMK2A Q9UQM7 1/20 0.34
SENP2 Q9HC62 1/20 0.34
SENP1 Q9P0U3 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 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
SCHEMBL4674907 0.87 LMNA (0.36) MAPTPOLBSMN1; SMN2TDP1MEN1
SCHEMBL4674290 0.85 NOTUM (0.34)
SCHEMBL4676668 0.84 CES1 (0.33) SMN1; SMN2HPGD
SCHEMBL4672851 0.84 CXCL8 (0.39) CXCL8MAPTRAB9APOLBRECQL
SCHEMBL4674144 0.83 MEN1 (0.32) RAB9ARECQLSENP2SENP1MEN1
SCHEMBL4676775 0.82 CXCL8 (0.41) CXCL8MAPTRAB9APOLBRECQL
SCHEMBL4673049 0.81 CYP3A4 (0.35) POLBTDP1
SCHEMBL4676613 0.80 POLB (0.32) POLBSMN1; SMN2
SCHEMBL4670670 0.79 PKM (0.33) MAPTRAB9APOLBTDP1MEN1
SCHEMBL4674091 0.78 KMT2A (0.34) MAPTRAB9APOLBRECQLSMN1; SMN2

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 2193/4885MAPT 205/4885RAB9A 2021/4885

“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.