SCHEMBL5899355

SCHEMBL5899355

O=C(Cc1cocc1Cc1cccc(F)c1)C(=O)c1nc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
MPO P05164 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
DAO P14920 1/20 0.34
SNCA P37840 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
NR4A2 P43354 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NR3C2 P08235 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL4672377 0.87 HCAR2 (0.39) HCAR2MPOPDE3BPDE3ADAO
SCHEMBL4675729 0.87 HCAR2 (0.40) HCAR2MPOPDE3BPDE3ASNCA
SCHEMBL4675755 0.87 MAPT (0.33) HCAR2MPOPDE3BPDE3ALMNA
SCHEMBL4677638 0.87 MPO (0.38) MPODAONR4A2NR3C2
SCHEMBL4677809 0.87 SLC6A2 (0.33) HCAR2PDE3BPDE3A
SCHEMBL4675266 0.85 FGFR1 (0.40) NR3C2
SCHEMBL4671739 0.85 HCAR2 (0.39) HCAR2MPOPDE3BPDE3ASNCA
SCHEMBL5899394 0.83 HCAR2 (0.38) HCAR2MPOSNCALMNAPOLB
SCHEMBL4678673 0.83 HCAR2 (0.38) HCAR2MPOSNCALMNAPOLB
SCHEMBL4672911 0.83 FFAR2 (0.40) HCAR2MPOPDE3BPDE3ADAO

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HCAR2 276/4885MPO 4231/4885PDE3B 4003/4885

“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.