SCHEMBL4672444

SCHEMBL4672444

O=C(C=C(O)c1nc[nH]n1)c1csc(Cc2ccccc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 11/20 0.39
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
PTGER1 P34995 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KMT2A Q03164 2/20 0.33
IGF1R P08069 1/20 0.33
MEN1 O00255 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4676246 0.86 HDAC1 (0.50) RAB9ANPC1L3MBTL1GAAPTGER1
SCHEMBL4675174 0.84 SLC40A1 (0.37) SLC40A1RAB9ANPC1L3MBTL1GAA
SCHEMBL4674380 0.84 RAB9A (0.47) RAB9ANPC1L3MBTL1GAAHDAC1
SCHEMBL4676211 0.83 SLC40A1 (0.40) SLC40A1RAB9ANPC1L3MBTL1GAA
SCHEMBL4674104 0.82 MMP1 (0.42) RAB9ANPC1L3MBTL1GAAPTGER1
SCHEMBL4675277 0.82 PTGER1 (0.37) SLC40A1RAB9ANPC1GAAPTGER1
SCHEMBL4674187 0.82 PTGER1 (0.35) RAB9ANPC1PTGER1HDAC6KMT2A
SCHEMBL4675771 0.81 NPC1 (0.35) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL4671664 0.81 HDAC1 (0.40) SLC40A1RAB9ANPC1L3MBTL1GAA
SCHEMBL4677065 0.80 PTPN1 (0.34) RAB9ANPC1HDAC6KMT2AMEN1

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 SLC40A1 3389/4885RAB9A 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.