SCHEMBL4680231

SCHEMBL4680231

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.35
HRH3 Q9Y5N1 3/20 0.34
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
MAOB P27338 4/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
ESRRA P11474 1/20 0.32
NPC1 O15118 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
SCHEMBL4678203 0.89 ALDH1A1 (0.37) MAPTRAB9AHPGDL3MBTL1GAA
SCHEMBL4671089 0.87 HSD17B10 (0.36) MAPTHPGDNPSR1ALDH1A1SMN1; SMN2
SCHEMBL4671641 0.87 PARP10 (0.31) MAPTALDH1A1
SCHEMBL4678747 0.87 ALOX5 (0.38) MAPTLMNAPOLBALDH1A1TSHR
SCHEMBL4676009 0.86 KLKB1 (0.32) MAPTRAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL4675959 0.82 KMT2A (0.40) MAPTRAB9AL3MBTL1LMNAMAOB
SCHEMBL4673900 0.82 RAB9A (0.40) MAPTRAB9AHPGDL3MBTL1GAA
SCHEMBL4678799 0.81 LMNA (0.39) MAPTRAB9AGAALMNANPSR1
SCHEMBL4674133 0.81 MAPT (0.37) MAPTRAB9AHPGDL3MBTL1GAA
SCHEMBL4670835 0.80 HPGD (0.38) HPGDL3MBTL1HRH3LMNAALDH1A1

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.