SCHEMBL4673370

SCHEMBL4673370

O=C(Cc1ccc(Cc2ccccc2)s1)C(=O)c1nc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
LMNA P02545 3/20 0.33
NPC1 O15118 3/20 0.33
TP53 P04637 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HDAC8 Q9BY41 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC1 Q13547 1/20 0.33
MEN1 O00255 1/20 0.33
ABL1 P00519 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
POLB P06746 1/20 0.33
LTA4H P09960 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL4674818 0.89 NAMPT (0.31) LMNAALDH1A1MAPTHDAC1NAMPT
SCHEMBL4677837 0.88 TSHR (0.34) ALDH1A1POLBCYP3A4
SCHEMBL5899414 0.88 MEN1 (0.35) LMNANPC1TP53RAB9AALDH1A1
SCHEMBL4671047 0.88 ALOX5 (0.36) ALOX5LMNANPC1TP53RAB9A
SCHEMBL4674269 0.86 HCAR2 (0.40) LMNARAB9AMAPK1POLBHCAR2
SCHEMBL4674070 0.86 TSHR (0.45) LMNAALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL4672931 0.86 POLB (0.41) LMNATP53ALDH1A1MAPTMEN1
SCHEMBL4674021 0.84 SMN1; SMN2 (0.36) LMNARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4670936 0.83 ABL1 (0.38) NPC1TP53RAB9AALDH1A1MAPT
SCHEMBL4673826 0.82 LTB4R (0.44) LMNANPC1TP53RAB9AALDH1A1

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 ALOX5 4375/4885LMNA 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.