SCHEMBL4675736

SCHEMBL4675736

O=C(Cc1cc(Cc2cccc(F)c2)co1)C(=O)c1nc[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
SNCA P37840 3/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
ACHE P22303 1/20 0.33
NR4A2 P43354 2/20 0.33
NR3C2 P08235 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PARP1 P09874 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 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
SCHEMBL4671425 0.92 HCAR2 (0.38) HCAR2MEN1KMT2AKDM5AKDM4C
SCHEMBL4673439 0.88 L3MBTL1 (0.34) KMT2ALMNAPOLBPARP1MAPT
SCHEMBL4679151 0.88 IDH1 (0.36) HCAR2KMT2ALMNAPARP1
SCHEMBL4673041 0.88 HCAR2 (0.38) HCAR2MEN1KMT2ASNCALMNA
SCHEMBL4673648 0.87 TDP1 (0.38) MEN1KMT2ANR4A2NR3C2PARP1
SCHEMBL4675385 0.86 KDM4C (0.38) KDM4CKDM5BLMNANR3C2PARP1
SCHEMBL4671810 0.85 HCAR2 (0.42) HCAR2KDM5AKDM4CKDM5BSNCA
SCHEMBL4670908 0.83 PTPN1 (0.35) MEN1KMT2ASNCATAAR1PARP1
SCHEMBL4675471 0.83 FFAR2 (0.40) HCAR2MEN1KMT2AKDM5AKDM4C
SCHEMBL4678998 0.83 TP53 (0.37) MEN1KMT2ALMNATHRBNR4A2

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 HCAR2 276/4885MEN1 4663/4885KMT2A 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.