SCHEMBL4674895

SCHEMBL4674895

COc1cccc(Oc2occc2C(=O)C=C(O)c2nc[nH]n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 4/20 0.38
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
ABCB1 P08183 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
PKM P14618 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KCNA3 P22001 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 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
SCHEMBL4674086 0.90 CYP1A1 (0.36) KDM4EPOLBLMNACYP1A1CYP1B1
SCHEMBL4676663 0.88 CYP1A1 (0.36) KDM4ELMNACYP1A1CYP1B1ABCB1
SCHEMBL4673044 0.88 KDM4C (0.36) KDM4ELMNAKDM4CHAO1
SCHEMBL4672937 0.85 KDM4E (0.38) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL4672935 0.84 KDM4E (0.45) KDM4EPOLBLMNAMEN1KMT2A
SCHEMBL4674906 0.84 CYP1A1 (0.40) KDM4EPOLBLMNACYP1A1CYP1B1
SCHEMBL4676408 0.82 KDM4C (0.43) LMNAKDM4CKDM5BPKMNPC1
SCHEMBL4672407 0.82 KDM4E (0.45) KDM4EPOLBLMNAMEN1KMT2A
SCHEMBL4676198 0.82 MAPT (0.37) LMNACYP1A1CYP1B1ABCB1NPC1
SCHEMBL4672706 0.82 EDNRA (0.36) LMNACYP1A1CYP1B1ABCB1KDM4C

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 947/4885POLB 58/4885LMNA 659/4885

“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.