SCHEMBL4670764

SCHEMBL4670764

O=C(O)/C(O)=C/C(=O)c1nc(Cc2ccccc2F)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
PTGER1 P34995 1/20 0.38
ELOVL1 Q9BW60 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ABL1 P00519 1/20 0.35
ADORA2A P29274 1/20 0.35
PTPN1 P18031 1/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34
PRKACA P17612 1/20 0.34
ROCK1 Q13464 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL4670765 1.00 HPGD (0.41) HPGDLMNAPTGER1ELOVL1MEN1
SCHEMBL4675737 0.83 PTGER1 (0.41) HPGDLMNAPTGER1KMT2ARAB9A
SCHEMBL4675741 0.83 PTGER1 (0.41) HPGDLMNAPTGER1KMT2ARAB9A
SCHEMBL4671473 0.80 LMNA (0.42) LMNAKMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL4671477 0.80 LMNA (0.42) LMNAKMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL4675277 0.80 PTGER1 (0.37) HPGDLMNAPTGER1ELOVL1MEN1
SCHEMBL4673597 0.80 LMNA (0.35) HPGDLMNAPTGER1ELOVL1MEN1
SCHEMBL4670896 0.79 ALDH1A1 (0.39) HPGDLMNAPTGER1MEN1KMT2A
SCHEMBL4670898 0.79 ALDH1A1 (0.39) HPGDLMNAPTGER1MEN1KMT2A
SCHEMBL4672059 0.79 KDM4E (0.42) HPGDLMNAPTGER1MEN1KMT2A

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 HPGD 2816/4885LMNA 659/4885PTGER1 4379/4885

“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.