SCHEMBL4676428

SCHEMBL4676428

O=C(C=C(O)c1nc[nH]n1)c1cc(Cc2ccc(F)cc2)c(F)o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 2/20 0.32
GPR55 Q9Y2T6 2/20 0.32
MAOA P21397 1/20 0.32
CNR1 P21554 1/20 0.31
SLC16A3 O15427 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5899383 0.91 PIM1 (0.31)
SCHEMBL4676308 0.90 SNCA (0.33) MAPTHCAR2LMNAMAPK1CASP3
SCHEMBL4671337 0.86 LMNA (0.36) LMNAMAPK1CASP3SENP7SENP6
S-1360 SCHEMBL10070153 0.86 CYP1A2 (0.36) MAPTLMNAMAPK1CASP3SENP7
S-1360 SCHEMBL3221454 0.86 CYP1A2 (0.36) MAPTLMNAMAPK1CASP3SENP7
SCHEMBL4673118 0.85 LMNA (0.33) LMNAMAPK1CASP3SENP7SENP6
S-1360 SCHEMBL6853679 0.85 CYP1A2 (0.35) MAPTLMNAMAPK1CASP3SENP7
SCHEMBL5899393 0.84 MAPT (0.33) MAPTHCAR2LMNAMAPK1CASP3
SCHEMBL4671846 0.83 LMNA (0.35) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL4678531 0.83 NR3C2 (0.32) LMNAMAPK1CASP3SENP7SENP6

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 MAPT 205/4885HCAR2 276/4885LMNA 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.