SCHEMBL4673367

SCHEMBL4673367

O=C(C=C(O)c1nc[nH]n1)c1ccc(Cc2ccccc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.35
LMNA P02545 3/20 0.34
NPC1 O15118 3/20 0.34
TP53 P04637 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALOX5 P09917 1/20 0.33
TBXAS1 P24557 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
LTA4H P09960 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
SCHEMBL4674814 0.91 TBXAS1 (0.32) RAB9ATBXAS1NAMPT
SCHEMBL4671044 0.90 ABL1 (0.35) LMNANPC1TP53RAB9AKMT2A
SCHEMBL5899413 0.90 MAPT (0.35) LMNANPC1TP53RAB9AKMT2A
SCHEMBL4677831 0.90 TSHR (0.32)
SCHEMBL4674264 0.88 HCAR2 (0.39) PTGER1LMNAPOLBHCAR2
SCHEMBL4672926 0.88 TP53 (0.42) LMNANPC1TP53RAB9AKMT2A
SCHEMBL4674065 0.88 TSHR (0.42) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4674020 0.87 HPGD (0.34) LMNANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4670932 0.86 ABL1 (0.37) PTGER1LMNANPC1TP53RAB9A
SCHEMBL4680401 0.81 CES1 (0.42) PTGER1LMNANPC1TP53RAB9A

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 PTGER1 4379/4885LMNA 659/4885NPC1 934/4885

“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.