SCHEMBL4672369

SCHEMBL4672369

O=C(C=C(O)c1nc[nH]n1)c1nc(Cc2ccccn2)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
POLB P06746 2/20 0.32
RAB9A P51151 5/20 0.32
NPC1 O15118 3/20 0.32
PTPRA P18433 1/20 0.32
MAPK14 Q16539 1/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTT P42858 2/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31

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 0.88 PTGER1 (0.39) PTGER1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4676495 0.84 CES1 (0.33) PTGER1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5899404 0.84 PTGER1 (0.32) PTGER1
SCHEMBL4675277 0.84 PTGER1 (0.37) PTGER1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4676211 0.82 SLC40A1 (0.40) PTGER1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4675484 0.81 PTGER1 (0.32) PTGER1
SCHEMBL4671162 0.81 RAB9A (0.32) PTGER1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4672331 0.81 LMNA (0.36) PTGER1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4675130 0.80 POLB (0.33) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4676992 0.80 PARP1 (0.36) PTGER1ALDH1A1KDM4EMEN1KMT2A

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-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

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 4379/4885ALDH1A1 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.