SCHEMBL6709588

SCHEMBL6709588

CCOC(=O)c1cn(-c2ccc(N3CCOCC3)cc2)c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GRM2 Q14416 1/20 0.48
NPC1 O15118 1/20 0.45
MAPT P10636 8/20 0.44
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 3/20 0.44
TSHR P16473 2/20 0.44
STAT3 P40763 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 7/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MC4R P32245 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL6709410 0.93 NPC1 (0.48) ALDH1A1KDM4EHPGDHSD17B10GRM2
SCHEMBL17896908 0.93 GRM2 (0.57) ALDH1A1KDM4EHPGDHSD17B10GRM2
SCHEMBL6709496 0.93 NPSR1 (0.51) ALDH1A1KDM4EHPGDHSD17B10GRM2
SCHEMBL6709521 0.92 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10GRM2
SCHEMBL6714914 0.91 GRM2 (0.46) ALDH1A1KDM4EHPGDHSD17B10GRM2
SCHEMBL6712622 0.90 HTT (0.52) ALDH1A1KDM4EHPGDHSD17B10GRM2
SCHEMBL6709458 0.88 CSF1R (0.51) ALDH1A1KDM4EHPGDHSD17B10GRM2
SCHEMBL6708251 0.88 HPGD (0.45) ALDH1A1KDM4EHPGDHSD17B10GRM2
SCHEMBL6712544 0.88 NPSR1 (0.51) ALDH1A1KDM4EHPGDHSD17B10GRM2
SCHEMBL6710753 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10GRM2

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-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents SCHNUTE MARK E (US) 2004-02-05 US disclosed
US-6653307-B2 Such as N-(4-chlorobenzyl)-6-(4-morpholinylmethyl)-4-oxo-1-phenyl-1,4-dihydro-3-quinolinecarboxamide for treatment of herpes virus; viral DNA polymerase inhibitors PHARMACIA & UPJOHN COMPANY 2003-11-25 US disclosed
CN-1432001-A 1-aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents UPJOHN CO (US) 2003-07-23 CN disclosed
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-08-01 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 (2 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-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 ALDH1A1 668/4885KDM4E 314/4885HPGD 3230/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L ALDH1A1 463/4885KDM4E 178/4885HPGD 2419/4885

“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.