SCHEMBL4672008

SCHEMBL4672008

COc1ccccc1Oc1cc(CC(=O)C(=O)c2nc[nH]n2)co1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.35
HSD17B10 Q99714 3/20 0.35
HTT P42858 2/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
RXRA P19793 1/20 0.34
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 1/20 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
SCHEMBL4673564 0.88 CXCL8 (0.35) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL4671241 0.85 MEN1 (0.34) MEN1KMT2ASMN1; SMN2POLBHTT
SCHEMBL4679128 0.85 MRGPRX4 (0.38) MRGPRX4RXRA
SCHEMBL4671839 0.85 PTGER4 (0.34) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4673491 0.84 LMNA (0.38) MEN1KMT2APOLBKDM4EMRGPRX4
SCHEMBL4679298 0.82 AR (0.37) MEN1KMT2APOLBKDM4ENPC1
SCHEMBL4673382 0.81 KMT2A (0.38) MEN1KMT2ASMN1; SMN2POLBHSD17B10
SCHEMBL4672779 0.81 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2POLBHSD17B10
SCHEMBL4675525 0.81 HAO1 (0.34) MEN1KMT2ASMN1; SMN2POLBHSD17B10
SCHEMBL4674133 0.79 MAPT (0.37) SMN1; SMN2MAPTALDH1A1RAB9AHPGD

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 597/4885SMN1; SMN2 4107/4885

“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.