SCHEMBL4674020

SCHEMBL4674020

O=C(C=C(O)c1nc[nH]n1)c1ccc(Cc2ccccn2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
RAB9A P51151 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 3/20 0.32
POLB P06746 2/20 0.32
PTPRA P18433 1/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL4673367 0.87 PTGER1 (0.35) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4676126 0.84 HPGD (0.34) HPGDALDH1A1KMT2AKDM4EMEN1
SCHEMBL4674814 0.83 TBXAS1 (0.32) RAB9A
SCHEMBL4670932 0.82 ABL1 (0.37) HPGDALDH1A1KMT2AKDM4EMEN1
SCHEMBL4675130 0.81 POLB (0.33) HPGDALDH1A1KMT2AKDM4EMEN1
SCHEMBL4676992 0.81 PARP1 (0.36) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL4671044 0.80 ABL1 (0.35) HPGDALDH1A1KMT2AKDM4EMEN1
SCHEMBL4677831 0.80 TSHR (0.32) TSHR
SCHEMBL5899413 0.80 MAPT (0.35) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL4680317 0.79 HPGD (0.40) HPGDALDH1A1KMT2AKDM4EMEN1

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 HPGD 2816/4885ALDH1A1 980/4885KMT2A 597/4885

“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.