SCHEMBL4680223

SCHEMBL4680223

CC(=O)c1ccc(Oc2ccc(C(=O)C=C(O)c3nc[nH]n3)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
MAOB P27338 5/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
MAOA P21397 1/20 0.33
PTGER4 P35408 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 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
SCHEMBL4678199 0.89 MAPT (0.38) MAPTRAB9AHPGDALDH1A1KMT2A
SCHEMBL4676006 0.88 NPSR1 (0.37) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4671638 0.87 MAPT (0.34) MAPTRAB9AALDH1A1NPC1
SCHEMBL4678744 0.87 ALOX5 (0.39) MAPTLMNAALDH1A1L3MBTL1
SCHEMBL4671086 0.87 MAPT (0.39) MAPTALDH1A1SMN1; SMN2
SCHEMBL4675135 0.84 LTA4H (0.35) ALDH1A1MAOBKMT2ASMN1; SMN2MAOA
SCHEMBL4673894 0.82 RAB9A (0.40) MAPTRAB9AHPGDLMNAALDH1A1
SCHEMBL4675956 0.82 KMT2A (0.38) MAPTRAB9ALMNAALDH1A1MAOB
SCHEMBL4676882 0.81 MAPT (0.34) MAPTRAB9AHPGDLMNAALDH1A1
SCHEMBL4678796 0.81 LMNA (0.38) MAPTRAB9AHPGDLMNAALDH1A1

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 MAPT 205/4885RAB9A 2021/4885HPGD 2816/4885

“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.