SCHEMBL5899345

SCHEMBL5899345

O=C(C=C(O)c1nc[nH]n1)c1cc(Cc2ccc(F)cc2)oc1Cl

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.32
SLC16A3 O15427 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP1 P09874 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SNCA P37840 2/20 0.31
PTGER4 P35408 2/20 0.30
PTGER2 P43116 1/20 0.30
VNN1 O95497 1/20 0.30
TP53 P04637 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGER1 P34995 1/20 0.30
PTGER3 P43115 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
SCHEMBL4670834 0.90 SLC16A3 (0.32) NR3C2SLC16A3LMNAMAPK1CASP3
SCHEMBL4679140 0.89 LMNA (0.33) SLC16A3LMNAMAPK1KDM4EALDH1A1
SCHEMBL4675486 0.86 NR3C2 (0.32) NR3C2LMNAMAPK1CASP3SENP7
SCHEMBL4674193 0.84 NR3C2 (0.32) NR3C2SLC16A3LMNAMAPK1CASP3
SCHEMBL5899347 0.84 PARP1 (0.36) NR3C2LMNAMAPK1CASP3SENP7
SCHEMBL4675925 0.84 L3MBTL1 (0.32) SLC16A3LMNAMAPK1CASP3SENP7
S-1360 SCHEMBL3221454 0.83 CYP1A2 (0.36) LMNAMAPK1CASP3SENP7SENP6
S-1360 SCHEMBL10070153 0.83 CYP1A2 (0.36) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL4676308 0.83 SNCA (0.33) SLC16A3LMNAMAPK1CASP3SENP7
S-1360 SCHEMBL6853679 0.82 CYP1A2 (0.35) 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
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 NR3C2 221/4885SLC16A3 2004/4885LMNA 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.