SCHEMBL4675256

SCHEMBL4675256

Cc1ccc(Cn2cc(C(=O)O)cc2C(=O)C=C(O)c2nc[nH]n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
APEX1 P27695 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGLN1 Q9GZT9 3/20 0.35
MCL1 Q07820 2/20 0.35
P2RY14 Q15391 5/20 0.35
MAPK10 P53779 1/20 0.35
LMNA P02545 1/20 0.35
PTGER1 P34995 1/20 0.34
BRD4 O60885 1/20 0.34
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL4675654 0.93 MCL1 (0.39) ALDH1A1EGLN1MCL1P2RY14MAPK10
SCHEMBL4672483 0.91 ALDH1A1 (0.36) ALDH1A1EGLN1P2RY14MAPK10PTGER1
SCHEMBL4676990 0.90 LMNA (0.42) MAPTTDP1ALDH1A1POLBMCL1
SCHEMBL4674310 0.90 SMN1; SMN2 (0.40) KDM4EMAPTTDP1ALDH1A1POLB
SCHEMBL4674559 0.90 EGLN1 (0.42) POLBEGLN1LMNABRD4
SCHEMBL4671944 0.90 ALDH1A1 (0.33) ALDH1A1EGLN1MAPK10PTGER1
SCHEMBL4672591 0.90 CA12 (0.42) KDM4EMAPTAPEX1TDP1POLB
SCHEMBL4674631 0.89 TDP1 (0.35) KDM4EMAPTAPEX1TDP1ALDH1A1
SCHEMBL5899342 0.89 MAPK10 (0.38) ALDH1A1L3MBTL1EGLN1MAPK10PTGER1
SCHEMBL4676801 0.88 LMNA (0.42) MAPTTDP1ALDH1A1POLBMCL1

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 KDM4E 947/4885MAPT 205/4885APEX1 1114/4885

“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.