SCHEMBL4673482

SCHEMBL4673482

CC(=O)c1ccc(Cc2occc2C(=O)C=C(O)c2nc[nH]n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 2/20 0.32
CYP1A1 P04798 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP1B1 Q16678 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4671571 0.91 TP53 (0.44) KMT2ALMNATP53CYP1A1ABCB1
SCHEMBL4677650 0.88 TP53 (0.35) KMT2ATP53TSHRCYP1A1ABCB1
SCHEMBL4673937 0.88 TP53 (0.39) TP53CYP1A1ABCB1CYP1B1SMN1; SMN2
SCHEMBL4671946 0.88 TP53 (0.33) KMT2ALMNATP53ALDH1A1L3MBTL1
SCHEMBL4675254 0.88 KDM4C (0.34) LMNATP53L3MBTL1
SCHEMBL4672236 0.88 TP53 (0.33) TP53
SCHEMBL4673027 0.86 TP53 (0.34) LMNATP53
SCHEMBL4672976 0.85 KDM5A (0.37) TP53ALDH1A1
SCHEMBL4677053 0.84 XDH (0.38) KMT2ALMNATP53TSHRSMN1; SMN2
SCHEMBL4677327 0.84 LMNA (0.39) KMT2ALMNATSHRMAOBSMN1; SMN2

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 KMT2A 597/4885LMNA 659/4885TP53 999/4885

“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.