SCHEMBL4677809

SCHEMBL4677809

O=C(Cc1cocc1Cc1ccccc1)C(=O)c1nc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HRH1 P35367 1/20 0.32
PLA2G1B P04054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER1 P34995 1/20 0.30
PARP1 P09874 1/20 0.30
AR P10275 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL4675826 0.89 CYP11B1 (0.34) PDE3BPDE3A
SCHEMBL4675332 0.88 RET (0.31) AR
SCHEMBL4676551 0.88 HTR6 (0.31)
SCHEMBL4672304 0.88 LMNA (0.33) PTGER1
SCHEMBL4675755 0.88 MAPT (0.33) HCAR2PDE3BPDE3A
SCHEMBL4672377 0.87 HCAR2 (0.39) HCAR2PLA2G1BPTGER1PDE3BPDE3A
SCHEMBL5899355 0.87 HCAR2 (0.39) HCAR2PDE3BPDE3A
SCHEMBL5899370 0.86 KMT2A (0.39) SMN1; SMN2AR
SCHEMBL4677527 0.86 MAOB (0.37)
SCHEMBL5899357 0.85 SRD5A2 (0.34)

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 SLC6A2 513/4885FNTA 3062/4885FNTB 3312/4885

“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.