SCHEMBL4675949

SCHEMBL4675949

O=C(NC1CC1)C(O)=CC(=O)c1ccc(Cc2ccc(F)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 2/20 0.37
SMYD3 Q9H7B4 1/20 0.37
BRD4 O60885 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4675945 1.00 LMNA (0.48) LMNATSHRALDH1A1MAPTSIGMAR1
SCHEMBL755174 0.81 MAPT (0.38) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL755173 0.81 MAPT (0.38) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL4676275 0.80 MAPT (0.46) LMNAALDH1A1MAPTPOLBMEN1
SCHEMBL4671394 0.79 ALDH1A1 (0.39) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL4671398 0.79 ALDH1A1 (0.39) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL756171 0.78 HTT (0.46) LMNATSHRALDH1A1MAPTHTT
SCHEMBL756172 0.78 HTT (0.46) LMNATSHRALDH1A1MAPTHTT
SCHEMBL27475907 0.76 ALDH1A1 (0.41) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL4676891 0.75 RAB9A (0.55) LMNATSHRALDH1A1MAPTHTT

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 LMNA 659/4885TSHR 1614/4885ALDH1A1 980/4885

“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.