SCHEMBL4670852

SCHEMBL4670852

O=C(Cc1ccoc1Oc1ccc(C(F)(F)F)cc1)C(=O)c1nc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.35
P2RY14 Q15391 1/20 0.35
RAB9A P51151 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 1/20 0.33
GRM4 Q14833 1/20 0.33
PPARD Q03181 2/20 0.32
PPARA Q07869 1/20 0.32
BRAF P15056 1/20 0.32
MAOB P27338 2/20 0.32
AOC3 Q16853 1/20 0.32
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
LIPE Q05469 1/20 0.31
MAOA P21397 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
SCHEMBL4672941 0.88 KDM4E (0.41) ALDH1A1BRAFMAOBAOC3
SCHEMBL4674091 0.86 KMT2A (0.34) ALDH1A1LMNARAB9AKDM4CBRAF
SCHEMBL4674144 0.86 MEN1 (0.32) LMNAP2RY14RAB9ALTA4HEPHX2
SCHEMBL4679728 0.86 PARP10 (0.31)
SCHEMBL4676668 0.86 CES1 (0.33) ALDH1A1LMNABRAF
SCHEMBL4676203 0.84 MAPT (0.38) ALDH1A1LMNARAB9AMAOBMAOA
SCHEMBL4673097 0.83 ALDH1A1 (0.37) ALDH1A1LMNAP2RY14KDM4CLTA4H
SCHEMBL4674290 0.82 NOTUM (0.34)
SCHEMBL4674605 0.81 ALDH1A1 (0.37) ALDH1A1LMNAP2RY14RAB9ALTA4H
SCHEMBL4672980 0.81 KDM5A (0.34) ALDH1A1P2RY14KDM4CPPARDPPARA

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 ALDH1A1 980/4885LMNA 659/4885P2RY14 3108/4885

“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.