SCHEMBL4672995

SCHEMBL4672995

O=C(c1ccccc1)c1cc(C(=O)C=C(O)c2nc[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
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK7 Q13164 1/20 0.35
CYP19A1 P11511 2/20 0.35
HSP90AB1 P08238 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
NPY5R Q15761 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ALKBH1 Q13686 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL4671392 0.93 CCNC (0.39) CCNCCDK8POLBMEN1KMT2A
SCHEMBL5899342 0.90 MAPK10 (0.38) CCNCCDK8MEN1KMT2AUSP2
SCHEMBL4676990 0.90 LMNA (0.42) POLBMEN1KMT2AHSP90AB1ALDH1A1
SCHEMBL4677818 0.90 POLB (0.48) POLBMEN1KMT2AHSP90AB1ALDH1A1
SCHEMBL5899364 0.88 LMNA (0.47) MEN1KMT2ACYP19A1ALDH1A1LMNA
SCHEMBL4672821 0.87 USP2 (0.37) CCNCCDK8MEN1KMT2AUSP2
SCHEMBL4676226 0.86 CCNC (0.41) CCNCCDK8POLBMEN1KMT2A
SCHEMBL4671361 0.86 KDM4C (0.39) MEN1KMT2AHSP90AB1ALDH1A1KDM4C
SCHEMBL4671850 0.86 KDM4C (0.40) POLBMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL4676028 0.85 MAPK10 (0.40) CCNCCDK8POLBKMT2AUSP2

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 81/4885POLB 58/4885

“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.