SCHEMBL4675917

SCHEMBL4675917

O=C(C=C(O)c1nc[nH]n1)c1oc(Cc2ccncc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 3/20 0.35
CYP17A1 P05093 1/20 0.31
PIM1 P11309 2/20 0.30
PIM2 Q9P1W9 2/20 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
SCHEMBL4675925 0.91 L3MBTL1 (0.32)
SCHEMBL4674293 0.88 CYP11B1 (0.33) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4676626 0.88 LMNA (0.33) CYP11B1CYP11B2PIM1PIM2
SCHEMBL5899358 0.86 CYP11B1 (0.35) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4674064 0.84 PIM1 (0.30) CYP11B1CYP11B2CYP17A1PIM1PIM2
SCHEMBL4674148 0.84 ABCB1 (0.35) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4673166 0.82 PIM1 (0.31) CYP11B1CYP11B2CYP17A1PIM1PIM2
SCHEMBL4671675 0.82 LMNA (0.34) CYP11B1CYP11B2CYP17A1PIM1PIM2
SCHEMBL4677384 0.82 POLB (0.35) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4679140 0.82 LMNA (0.33) CYP11B1CYP11B2PIM1PIM2

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 CYP11B1 63/4885CYP11B2 129/4885CYP17A1 89/4885

“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.