SCHEMBL4678093

SCHEMBL4678093

O=C(O)C(O)=CC(=O)c1[nH]ncc1Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PTPRA P18433 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL4673595 0.83 MEN1 (0.37) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL4670957 0.82 PTPRA (0.37) HRH4HRH3PTPRAKDM4EALDH1A1
SCHEMBL4670956 0.82 PTPRA (0.37) HRH4HRH3PTPRAKDM4EALDH1A1
SCHEMBL4674076 0.81 HRH4 (0.36) HRH4HRH3PTPRAKDM4EALDH1A1
SCHEMBL4677026 0.80 CES1 (0.34) HRH4HRH3PTPRAKDM4EALDH1A1
SCHEMBL4677315 0.79 AR (0.36) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL4671400 0.79 PTPRA (0.38) PTPRAKDM4EALDH1A1NPSR1MEN1
SCHEMBL4671395 0.79 PTPRA (0.38) PTPRAKDM4EALDH1A1NPSR1MEN1
SCHEMBL4673325 0.78 CCR5 (0.38) HRH4HRH3KDM4EALDH1A1TSHR
SCHEMBL4679799 0.76 L3MBTL1 (0.38) PTPRAKDM4EALDH1A1NPSR1MEN1

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-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 HRH4 479/4885HRH3 471/4885PTPRA 1256/4885

“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.