SCHEMBL4673249

SCHEMBL4673249

O=C(C=C(O)c1nc[nH]n1)c1cc(Cc2ccc(F)cc2)cs1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABL1 P00519 1/20 0.30
LTA4H P09960 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL4671867 0.90 DAO (0.39) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL4678629 0.89 MAPT (0.35) MAPTNPSR1
SCHEMBL4673524 0.89 MAPT (0.37) MAPTNPSR1ABL1LTA4HKDM4E
SCHEMBL4676758 0.89 HCAR2 (0.39) LMNAMAPTNPSR1
SCHEMBL4677407 0.88 MAPT (0.35) LMNAMAPK1MAPTNPSR1KDM4E
SCHEMBL4671418 0.88 MAPT (0.41) LMNAL3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL4674074 0.88 MAPT (0.36) LMNAMAPTNPSR1ABL1LTA4H
SCHEMBL4677065 0.85 PTPN1 (0.34) LMNAMAPTNPSR1ABL1KDM4E
SCHEMBL4671773 0.83 MAPT (0.35) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL4678515 0.82 LMNA (0.34) LMNAMAPK1CASP3SENP7SENP6

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
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-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 LMNA 659/4885MAPK1 2560/4885CASP3 2381/4885

“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.