SCHEMBL4676468

SCHEMBL4676468

O=C(Cc1cc(Cc2ccccc2Cl)co1)C(=O)c1nc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SNCA P37840 1/20 0.32
CASP6 P55212 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LDHA P00338 1/20 0.32
TP53 P04637 2/20 0.32
PTGER1 P34995 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NLRP3 Q96P20 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4674478 0.92 AR (0.33) ARPDE3BPDE3ALMNAALDH1A1
SCHEMBL4670908 0.88 PTPN1 (0.35) ARALDH1A1SNCALDHAPTGER1
SCHEMBL4679151 0.86 IDH1 (0.36) ARLMNAL3MBTL1
SCHEMBL4671632 0.86 AR (0.37) ARSNCAPOLBMAPT
SCHEMBL4674099 0.85 AR (0.36) ARLMNAALDH1A1SNCAKDM4E
SCHEMBL4678074 0.84 LMNA (0.33) LMNASNCAPTGER1POLBL3MBTL1
SCHEMBL4673041 0.83 HCAR2 (0.38) PDE3BPDE3ALMNAALDH1A1SNCA
SCHEMBL4675326 0.83 ALDH1A1 (0.38) ARPDE3BPDE3ALMNAALDH1A1
SCHEMBL4677011 0.82 TSHR (0.34) LMNAALDH1A1KDM4EPOLBMAPT
SCHEMBL4675031 0.81 AR (0.36) ARPDE3BPDE3ALMNAALDH1A1

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 AR 10/4885PDE3B 4003/4885PDE3A 4383/4885

“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.