SCHEMBL4676480

SCHEMBL4676480

O=C(C=C(O)c1nc[nH]n1)c1ccc(Cc2ccc(F)c(F)c2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTT P42858 1/20 0.32
PARP1 P09874 1/20 0.31
VNN1 O95497 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ATM Q13315 1/20 0.31
PPARA Q07869 1/20 0.30
PTGER1 P34995 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MRGPRX4 Q96LA9 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
SCHEMBL14259555 0.91 MMP13 (0.35) MAPTHTTPARP1ATMNPC1
S-1360 SCHEMBL3221454 0.89 CYP1A2 (0.36) MAPTPOLBTDP1L3MBTL1HTT
S-1360 SCHEMBL10070153 0.89 CYP1A2 (0.36) MAPTPOLBTDP1L3MBTL1HTT
SCHEMBL4671807 0.89 HCAR2 (0.40) KDM5AKDM5BMAPTPOLBKDM4C
S-1360 SCHEMBL6853679 0.88 CYP1A2 (0.35) MAPTPOLBTDP1L3MBTL1HTT
SCHEMBL4672214 0.88 MAPT (0.33) MAPTPOLBTDP1L3MBTL1PTGER1
SCHEMBL4678961 0.86 PTGER1 (0.36) MAPTPOLBTDP1L3MBTL1HTT
SCHEMBL4672880 0.86 MAPT (0.33) MAPTPOLBTDP1L3MBTL1HTT
SCHEMBL5899388 0.85 POLB (0.34) KDM5AKDM5BMAPTPOLBTDP1
SCHEMBL4678600 0.85 HSD17B10 (0.41) MAPTPOLBHTTPTGER1NPC1

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 KDM5A 1534/4885KDM5B 1480/4885MAPT 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.