SCHEMBL4676497

SCHEMBL4676497

O=C(c1ccccc1)c1cc(C(=O)C=C(O)c2nn[nH]n2)n(Cc2ccccc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
VNN1 O95497 1/20 0.38
TP53 P04637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NTRK1 P04629 1/20 0.35
BRD4 O60885 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
NOD2 Q9HC29 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4676718 0.94 MAPT (0.39) MAPTKDM4AKDM5AKDM4CKDM5B
SCHEMBL4676001 0.92 ATM (0.39) MAPTKDM4AKDM5AKDM4CKDM5B
SCHEMBL4671448 0.90 ATM (0.36) MAPTKDM4AKDM5AKDM4CKDM5B
SCHEMBL4675420 0.87 POLB (0.48) KDM4AKDM5AKDM4CKDM5BTP53
SCHEMBL4673425 0.87 TP53 (0.40) MAPTTP53RXFP1PTGDR2POLB
SCHEMBL4675314 0.86 PTGDR2 (0.37) MAPTTP53RXFP1NTRK1PTGDR2
SCHEMBL4676205 0.86 CES1 (0.39) MAPTKDM4AKDM5AKDM4CKDM5B
SCHEMBL4677986 0.85 TP53 (0.42) MAPTKDM4AKDM5AKDM4CKDM5B
SCHEMBL4679072 0.84 KMT2A (0.39) MAPTTP53RXFP1PTGDR2POLB
SCHEMBL4680101 0.84 CCNC (0.39) POLBCASP3SENP8SENP7SENP6

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 205/4885KDM4A 340/4885KDM5A 1534/4885

“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.