SCHEMBL5899392

SCHEMBL5899392

O=C(C=C(O)c1nc[nH]n1)c1ccoc1Cc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.39
NR3C2 P08235 1/20 0.36
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
NR4A2 P43354 2/20 0.34
ALDH1A1 P00352 1/20 0.34
BRS3 P32247 1/20 0.33
GSK3B P49841 1/20 0.33
BACE1 P56817 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 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
SCHEMBL4677650 0.90 TP53 (0.35) HCAR2KDM5AKDM5BKDM4CPOLB
SCHEMBL4671946 0.89 TP53 (0.33) NR3C2LMNAPOLBGPR52ALDH1A1
SCHEMBL4679843 0.88 SMN1; SMN2 (0.41) HCAR2KDM5BKDM4CLMNATHRB
SCHEMBL4672977 0.87 NR3C2 (0.39) NR3C2GPR52NR4A2
SCHEMBL4676408 0.86 KDM4C (0.43) NR3C2KDM5BKDM4CLMNAGPR52
SCHEMBL4678670 0.85 HCAR2 (0.39) HCAR2NR3C2KDM5AKDM5BKDM4C
SCHEMBL4672866 0.84 HCAR2 (0.39) HCAR2NR3C2KDM5AKDM5BKDM4C
SCHEMBL4673027 0.83 TP53 (0.34) LMNATP53
SCHEMBL4671571 0.83 TP53 (0.44) NR3C2LMNAPOLBTP53MAPT
SCHEMBL4675734 0.83 HCAR2 (0.40) HCAR2NR3C2KDM5AKDM5BKDM4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HCAR2 276/4885NR3C2 221/4885KDM5A 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.