SCHEMBL4676891

SCHEMBL4676891

O=C(Nc1nccs1)C(O)=CC(=O)c1ccc(Cc2ccc(F)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
ALDH1A1 P00352 8/20 0.55
NPC1 O15118 7/20 0.55
HPGD P15428 4/20 0.55
MAPT P10636 3/20 0.49
MGAM O43451 3/20 0.49
GAA P10253 3/20 0.49
SI P14410 3/20 0.49
MGAM2 Q2M2H8 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL4673404 0.81 RAB9A (0.44) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL4672492 0.81 KMT2A (0.44) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL4676275 0.80 MAPT (0.46) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL755174 0.77 MAPT (0.38) ALDH1A1HPGDMAPTTP53L3MBTL1
SCHEMBL755173 0.77 MAPT (0.38) ALDH1A1HPGDMAPTTP53L3MBTL1
SCHEMBL4675949 0.75 LMNA (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4675945 0.75 LMNA (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4671398 0.75 ALDH1A1 (0.39) ALDH1A1HPGDMAPTGAARXFP1
SCHEMBL4671394 0.75 ALDH1A1 (0.39) ALDH1A1HPGDMAPTGAARXFP1
SCHEMBL756172 0.74 HTT (0.46) ALDH1A1HPGDMAPTGAATSHR

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 RAB9A 2021/4885MEN1 4663/4885KMT2A 597/4885

“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.