SCHEMBL4674091

SCHEMBL4674091

COc1ccc(Oc2occc2CC(=O)C(=O)c2nc[nH]n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 5/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP12 P39900 2/20 0.32
MMP13 P45452 2/20 0.32
MMP14 P50281 2/20 0.32
MMP16 P51512 2/20 0.32
ALDH1A1 P00352 4/20 0.31
LMNA P02545 1/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
BRAF P15056 1/20 0.31
ALPL P05186 1/20 0.31
CES2 O00748 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
SCHEMBL4674896 0.89 LMNA (0.38) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4676203 0.89 MAPT (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4679728 0.89 PARP10 (0.31)
SCHEMBL4674144 0.89 MEN1 (0.32) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL4676668 0.89 CES1 (0.33) SMN1; SMN2ALDH1A1LMNABRAFCES1
SCHEMBL4670852 0.86 ALDH1A1 (0.37) RAB9AALDH1A1LMNABRAFKDM4C
SCHEMBL4674907 0.85 LMNA (0.36) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL4673941 0.83 KDM5A (0.35) SMN1; SMN2ALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL4673242 0.83 MMP2 (0.35) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4671919 0.82 KMT2A (0.38) KMT2AMEN1MAPTNPC1RAB9A

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 KMT2A 597/4885MEN1 4663/4885MAPT 205/4885

“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.