SCHEMBL4677658

SCHEMBL4677658

COc1ccc(Cn2cc(C(=O)O)cc2C(=O)C=C(O)c2nn[nH]n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.39
ALKBH1 Q13686 1/20 0.38
PTPN11 Q06124 1/20 0.37
CHRM1 P11229 2/20 0.37
LMNA P02545 1/20 0.37
MMP13 P45452 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4673319 0.93 CCR2 (0.37) EGLN1ALKBH1PTPN11CHRM1LMNA
SCHEMBL4676505 0.91 NPC1 (0.46) CHRM1LMNAMEN1NPC1RAB9A
SCHEMBL4672810 0.90 MAPT (0.42) PTGDR2MEN1NPC1RAB9AKMT2A
SCHEMBL4675104 0.90 PTGDR2 (0.37) LMNAMAPK8MAPK10PTGDR2MEN1
SCHEMBL4672844 0.89 P2RY14 (0.35) EGLN1
SCHEMBL4675665 0.88 XDH (0.37) MAPK10
SCHEMBL4673001 0.88 LMNA (0.44) CHRM1LMNAPTGDR2MEN1NPC1
SCHEMBL4675693 0.87 MAPT (0.43) PTGDR2NPC1RAB9A
SCHEMBL4670862 0.87 UCHL5 (0.32) MAPK10
SCHEMBL4671402 0.87 CA12 (0.42) EGLN1ALKBH1MEN1NPC1RAB9A

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 EGLN1 2213/4885ALKBH1 333/4885PTPN11 3101/4885

“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.