SCHEMBL4673428

SCHEMBL4673428

O=C(Cc1occc1Oc1ccc(Cl)cc1)C(=O)c1nc[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SENP2 Q9HC62 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
MET P08581 1/20 0.32
P2RY14 Q15391 1/20 0.32
MMP1 P03956 1/20 0.31
MAPT P10636 1/20 0.31
ATF4 P18848 2/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PDGFRA P16234 1/20 0.30
KDR P35968 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL4671919 0.89 KMT2A (0.38) MEN1KMT2AMETMAPTLMNA
SCHEMBL4675210 0.89 PARP10 (0.31) MEN1KMT2A
SCHEMBL4673614 0.89 L3MBTL1 (0.34) MAPTLMNAL3MBTL1
SCHEMBL4672141 0.87 CYP3A4 (0.39) LMNA
SCHEMBL4670595 0.87 MAPT (0.38) KMT2AMAPTLMNANPSR1L3MBTL1
SCHEMBL4673097 0.86 ALDH1A1 (0.37) P2RY14LMNAKDR
SCHEMBL4672851 0.83 CXCL8 (0.39) MEN1KMT2ASENP2SENP1MAPT
SCHEMBL4674144 0.82 MEN1 (0.32) MEN1KMT2ASENP2SENP1P2RY14
SCHEMBL4672943 0.81 KMT2A (0.42) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4675425 0.80 POLB (0.33) MEN1KMT2AMAPTLMNAL3MBTL1

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 MEN1 4663/4885KMT2A 597/4885SENP2 3175/4885

“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.