SCHEMBL5899394

SCHEMBL5899394

O=C(Cc1ccoc1Cc1cccc(F)c1)C(=O)c1nc[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
NR3C2 P08235 1/20 0.34
KDM5A P29375 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
MPO P05164 1/20 0.34
SNCA P37840 3/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
NR4A2 P43354 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL4678673 0.92 HCAR2 (0.38) HCAR2NR3C2KDM5AKDM5BKDM4C
SCHEMBL4679844 0.88 HCAR2 (0.38) HCAR2KDM5BKDM4CMPOSNCA
SCHEMBL4671947 0.87 L3MBTL1 (0.32) LMNAPOLB
SCHEMBL4672982 0.87 TDP1 (0.38) NR3C2MPOMTNR1AMTNR1BMAOB
SCHEMBL4677651 0.87 SLC6A2 (0.32) HCAR2
SCHEMBL4676413 0.86 KDM4C (0.39) NR3C2KDM5BKDM4CMTNR1AMTNR1B
SCHEMBL4672869 0.84 FFAR2 (0.39) HCAR2NR3C2MPOLMNAPOLB
SCHEMBL4671739 0.83 HCAR2 (0.39) HCAR2NR3C2MPOSNCANR4A2
SCHEMBL5899355 0.83 HCAR2 (0.39) HCAR2NR3C2MPOSNCALMNA
SCHEMBL4675729 0.83 HCAR2 (0.40) HCAR2NR3C2MPOSNCAMAOA

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 276/4885NR3C2 221/4885KDM5A 1534/4885

“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.