SCHEMBL4676006

SCHEMBL4676006

O=C(C=C(O)c1nc[nH]n1)c1ccc(Oc2ccccc2)o1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
KLKB1 P03952 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.34
CES1 P23141 3/20 0.33
FAAH O00519 2/20 0.31
FFAR1 O14842 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
SLC9A1 P19634 1/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4678744 0.90 ALOX5 (0.39) MAPTALDH1A1MAPK1
SCHEMBL4671086 0.90 MAPT (0.39) NPSR1MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL4671638 0.90 MAPT (0.34) KLKB1MAPTALDH1A1NPC1RAB9A
SCHEMBL4678199 0.90 MAPT (0.38) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL4678796 0.88 LMNA (0.38) NPSR1KLKB1MAPTALDH1A1SLC9A1
SCHEMBL4677855 0.88 ALDH1A1 (0.43) NPSR1MAPTALDH1A1MAPK1FFAR1
SCHEMBL4680223 0.88 MAPT (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4675135 0.87 LTA4H (0.35) ALDH1A1FAAHFFAR1SMN1; SMN2
SCHEMBL4678496 0.86 KDM4E (0.39) MAPTALDH1A1POLB
SCHEMBL4675045 0.85 HPGD (0.34) NPSR1MAPTALDH1A1MAPK1NPC1

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 NPSR1 937/4885KLKB1 3843/4885MAPT 205/4885

“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.