SCHEMBL5899388

SCHEMBL5899388

O=C(C=C(O)c1nc[nH]n1)c1ccc(Cc2ccc(F)cc2F)o1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
TSHR P16473 2/20 0.34
GSK3B P49841 2/20 0.33
BACE1 P56817 2/20 0.33
MAPT P10636 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
PPARA Q07869 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NTRK1 P04629 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGER1 P34995 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LMNA P02545 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
SCHEMBL4672214 0.92 MAPT (0.33) POLBTSHRMAPTL3MBTL1NTRK1
SCHEMBL4677051 0.88 TAAR1 (0.37) POLBMAPTMEN1KMT2APTGER1
S-1360 SCHEMBL3221454 0.87 CYP1A2 (0.36) POLBTSHRMAPTMEN1KMT2A
S-1360 SCHEMBL10070153 0.87 CYP1A2 (0.36) POLBTSHRMAPTMEN1KMT2A
S-1360 SCHEMBL6853679 0.86 CYP1A2 (0.35) POLBTSHRMAPTMEN1KMT2A
SCHEMBL4676480 0.85 KDM5A (0.36) POLBMAPTKDM4CPPARAKDM5A
SCHEMBL4671807 0.85 HCAR2 (0.40) POLBMAPTKDM4CMEN1KMT2A
SCHEMBL14259555 0.83 MMP13 (0.35) MAPTLMNA
SCHEMBL4672880 0.82 MAPT (0.33) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL4676708 0.81 MAPT (0.33) MAPTLMNA

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 5 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 POLB 58/4885TSHR 1614/4885GSK3B 38/4885

“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.