SCHEMBL4680317

SCHEMBL4680317

O=C(O)/C(O)=C/C(=O)c1ccc(Cc2ccccn2)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
PTPRA P18433 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
POLB P06746 3/20 0.37
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4680321 1.00 HPGD (0.40) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4673394 0.81 ALOX5 (0.40) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4673397 0.81 ALOX5 (0.40) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4674020 0.79 HPGD (0.34) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4676126 0.79 HPGD (0.34) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4159850 0.78 HPGD (0.48) HPGDALDH1A1KDM4ESMN1; SMN2PTPRA
SCHEMBL4676003 0.78 DAO (0.39) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4676005 0.78 DAO (0.39) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4677806 0.78 ALDH1A1 (0.38) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4673653 0.78 ALDH1A1 (0.38) HPGDALDH1A1KDM4EKMT2AMEN1

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
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-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 980/4885KDM4E 947/4885

“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.