SCHEMBL4678517

SCHEMBL4678517

O=C(Cc1csc(Cc2ccc(F)cc2)c1)C(=O)c1nc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
LTB4R Q15722 1/20 0.33
GPER1 Q99527 1/20 0.33
LMNA P02545 5/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4673251 0.91 LMNA (0.34) ABL1GPER1LMNAKMT2AMEN1
SCHEMBL4674094 0.89 LTB4R (0.33) LTB4R
SCHEMBL4677934 0.89 MEN1 (0.33) ABL1LTB4RLMNAKMT2AMEN1
SCHEMBL4673826 0.89 LTB4R (0.44) ABL1LTB4RLMNAKMT2AMEN1
SCHEMBL4678122 0.88 HCAR2 (0.38) LTB4RLMNARAB9AMAPK1POLB
SCHEMBL4670909 0.88 LTB4R (0.34) LTB4RPOLB
SCHEMBL4671048 0.87 TSHR (0.40) LTB4RLMNAKMT2AALDH1A1
SCHEMBL4673106 0.87 SLC5A2 (0.40) ABL1LMNAKMT2AMEN1ALDH1A1
SCHEMBL4674195 0.84 ABL1 (0.35) ABL1LTB4RLMNAKMT2AMEN1
SCHEMBL4671047 0.83 ALOX5 (0.36) ABL1GPER1LMNAKMT2AMEN1

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 ABL1 494/4885LTB4R 1834/4885GPER1 580/4885

“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.