SCHEMBL4675277

SCHEMBL4675277

O=C(C=C(O)c1nc[nH]n1)c1nc(Cc2ccccc2F)cs1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.37
LMNA P02545 3/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ELOVL1 Q9BW60 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
ATM Q13315 1/20 0.31
ADORA2A P29274 1/20 0.31
ABL1 P00519 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
AR P10275 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL4676888 0.86 PTGER1 (0.39) PTGER1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4673597 0.84 LMNA (0.35) PTGER1LMNAHPGDMEN1KMT2A
SCHEMBL4672369 0.84 PTGER1 (0.34) PTGER1LMNAHPGDMEN1KMT2A
SCHEMBL4672331 0.84 LMNA (0.36) PTGER1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4678617 0.82 HCAR2 (0.38) PTGER1SMN1; SMN2KDM4E
SCHEMBL4672444 0.82 SLC40A1 (0.39) PTGER1LMNAMEN1KMT2ARXFP1
SCHEMBL5899404 0.81 PTGER1 (0.32) PTGER1
SCHEMBL4677065 0.80 PTPN1 (0.34) LMNAHPGDMEN1KMT2ARXFP1
SCHEMBL4674187 0.80 PTGER1 (0.35) PTGER1HPGDMEN1KMT2ARXFP1
SCHEMBL4676073 0.80 MEN1 (0.32) HPGDMEN1KMT2ARXFP1KDM4E

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 PTGER1 4379/4885LMNA 659/4885HPGD 2816/4885

“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.