SCHEMBL4674735

SCHEMBL4674735

O=C(C=C(O)c1nc[nH]n1)c1cnc(Cc2ccc(F)cc2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
P4HTM Q9NXG6 1/20 0.32
TP53 P04637 3/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
BRS3 P32247 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
S-1360 SCHEMBL3221454 0.85 CYP1A2 (0.36) NPSR1LMNAL3MBTL1MAPK1CASP3
S-1360 SCHEMBL10070153 0.85 CYP1A2 (0.36) NPSR1LMNAL3MBTL1MAPK1CASP3
SCHEMBL4673459 0.85 NPSR1 (0.37) NPSR1LMNAL3MBTL1MAPK1CASP3
S-1360 SCHEMBL6853679 0.84 CYP1A2 (0.35) NPSR1LMNAL3MBTL1MAPK1CASP3
SCHEMBL4676428 0.83 MAPT (0.33) NPSR1LMNAL3MBTL1MAPK1CASP3
SCHEMBL4673118 0.83 LMNA (0.33) NPSR1LMNAL3MBTL1MAPK1CASP3
SCHEMBL4671310 0.82 SMN1; SMN2 (0.40) NPSR1LMNAL3MBTL1MAPK1CASP3
SCHEMBL4673435 0.81 LMNA (0.36) LMNAL3MBTL1MAPK1CASP3SENP7
SCHEMBL4676308 0.81 SNCA (0.33) LMNAL3MBTL1MAPK1CASP3SENP7
SCHEMBL4678531 0.81 NR3C2 (0.32) LMNAL3MBTL1MAPK1CASP3SENP7

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 5 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
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 NPSR1 937/4885LMNA 659/4885L3MBTL1 1170/4885

“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.