SCHEMBL4677072

SCHEMBL4677072

CC(=O)c1ccc(Cc2cn[nH]c2C(=O)C=C(O)c2nc[nH]n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.35
HRH3 Q9Y5N1 4/20 0.33
TBXAS1 P24557 3/20 0.33
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
MAOB P27338 5/20 0.31
MAOA P21397 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
SCHEMBL4675318 0.89 MAPT (0.32) KMT2ALMNAMEN1
SCHEMBL4676579 0.88 POLB (0.35) ALDH1A1L3MBTL1
SCHEMBL4672849 0.87 MAPT (0.34) KMT2ALMNAALDH1A1L3MBTL1MEN1
SCHEMBL4676773 0.87 HRH3 (0.33) HRH3
SCHEMBL4670983 0.86 CCR5 (0.33) LMNAHRH3ALDH1A1SMN1; SMN2
SCHEMBL4675668 0.83 XDH (0.38) KMT2ALMNATSHRTBXAS1MEN1
SCHEMBL5899368 0.80 KMT2A (0.36) KMT2ALMNATSHRALDH1A1HTT
SCHEMBL4676465 0.80 KMT2A (0.36) KMT2ALMNATSHRALDH1A1HTT
SCHEMBL4671272 0.80 KMT2A (0.36) KMT2ALMNATSHRTBXAS1ALDH1A1
SCHEMBL4677327 0.80 LMNA (0.39) KMT2ALMNATSHRALDH1A1HTT

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 659/4885TSHR 1614/4885

“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.