SCHEMBL5866565

SCHEMBL5866565

CC(=O)Nc1ccc(C(C)C)cc1N=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEU3 Q9UQ49 1/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
BRD4 O60885 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL12062873 0.84 NEU3 (0.41) NEU3MAPTNPC1RAB9APOLB
SCHEMBL22628682 0.81 NPC1 (0.47) MAPTNPC1RAB9APOLBKDM4E
SCHEMBL20017609 0.80 KDM4E (0.44) NEU3MAPTNPC1RAB9APOLB
SCHEMBL28226425 0.80 MAPT (0.59) NEU3MAPTNPC1RAB9APOLB
SCHEMBL12190515 0.78 ALDH1A1 (0.52) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL6836151 0.78 MAPT (0.62) MAPTNPC1RAB9APOLBKDM4E
SCHEMBL18503024 0.77 HDAC1 (0.55) MAPTNPC1RAB9APOLBKDM4E
SCHEMBL3983979 0.77 CA1 (0.55) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL10620579 0.77 CA1 (0.54) MAPTNPC1RAB9APOLBKDM4E
SCHEMBL3987763 0.75 KDM4E (0.61) NEU3MAPTNPC1RAB9APOLB

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
US-7109338-B2 For use in the prophylaxis and the treatment of Picornavirus and human rotavirus infections. MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
EP-1081138-B1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MARUISHI PHARMA (JP) 2004-09-22 EP disclosed
US-20040009977-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-15 US disclosed
EP-1380575-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds Maruishi Pharmaceutical Co., Ltd. (JP) 2004-01-14 EP disclosed
US-6541470-B1 Have a potent antiviral activity against picornaviruses and rotaviruses. MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-01 US disclosed
EP-1081138-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds Maruishi Pharmaceutical Co., Ltd. (JP) 2001-03-07 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-20040009977-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MAVS, IRF3, EIF2AK2 NEU3 1853/4885MAPT 3933/4885NPC1 482/4885

“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.