SCHEMBL4680101

SCHEMBL4680101

O=C(c1ccccc1)c1cc(C(=O)C=C(O)c2nn[nH]n2)n(Cc2ccncc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MAP4K4 O95819 1/20 0.38
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK7 Q13164 1/20 0.35
CYP19A1 P11511 2/20 0.35
HSP90AB1 P08238 2/20 0.34
CES1 P23141 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
USP2 O75604 1/20 0.33
MAPK10 P53779 1/20 0.33
NPY5R Q15761 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4675042 0.93 CCNC (0.39) CCNCCDK8MAP4K4POLBMEN1
SCHEMBL4677380 0.90 CCNC (0.37) CCNCCDK8MAP4K4MEN1KMT2A
SCHEMBL4676055 0.90 ALDH1A1 (0.38) POLBMEN1KMT2AHSP90AB1CASP3
SCHEMBL4675420 0.90 POLB (0.48) POLBMEN1KMT2AHSP90AB1CASP3
SCHEMBL4672269 0.87 CCNC (0.36) CCNCCDK8MAP4K4MEN1KMT2A
SCHEMBL4676505 0.87 NPC1 (0.46) POLBMEN1KMT2ACYP19A1HSP90AB1
SCHEMBL4671501 0.86 CCNC (0.41) CCNCCDK8MAP4K4POLBMEN1
SCHEMBL4674956 0.86 POLB (0.38) POLBCYP19A1CES1NCEH1
SCHEMBL4674645 0.86 KDM4C (0.39) MAP4K4HSP90AB1ERCC5FEN1
SCHEMBL4672995 0.85 CCNC (0.39) CCNCCDK8POLBMEN1KMT2A

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 CCNC 543/4885CDK8 81/4885MAP4K4 2369/4885

“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.