SCHEMBL4672697

SCHEMBL4672697

COc1ccc(Cc2cc(C(=O)C=C(O)c3nc[nH]n3)[nH]n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
ACR P10323 1/20 0.38
ALPL P05186 2/20 0.38
CA9 Q16790 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
TP53 P04637 1/20 0.37
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL4674016 0.89 MAPT (0.38) MAPTALPLTP53KDM4EMAPK1
SCHEMBL4673283 0.88 KMT2A (0.37) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL4672128 0.87 ALPL (0.34) MAPTALDH1A1LMNAALPLHDAC3
SCHEMBL4677798 0.87 ALPL (0.34) ALPLL3MBTL1
SCHEMBL4677813 0.86 CYP1A2 (0.32) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL4673946 0.84 ALPL (0.37) MAPTALDH1A1LMNAACRALPL
SCHEMBL4675841 0.82 ALPL (0.42) MAPTALDH1A1LMNAACRALPL
SCHEMBL4673085 0.80 HCAR2 (0.42) LMNAKDM5AKDM5BMAPK1
SCHEMBL5899376 0.80 ALDH1A1 (0.39) MAPTALDH1A1LMNAHDAC1HDAC6
SCHEMBL4676579 0.79 POLB (0.35) ALDH1A1ALPLKDM5AKDM5BKDM4E

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 MAPT 205/4885ALDH1A1 980/4885LMNA 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.