SCHEMBL3860728

SCHEMBL3860728

COc1ccc(C2(C)C(=O)Nc3ccccc3C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.56
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TTR P02766 1/20 0.48
LRRK2 Q5S007 1/20 0.48
APP P05067 1/20 0.47
SNCA P37840 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL3865758 0.84 MMP2 (0.56) HTR6MAPTALDH1A1LRRK2MMP2
SCHEMBL3858590 0.82 MMP2 (0.56) HTR6MAPTALDH1A1TDP1MMP2
SCHEMBL3865307 0.79 HTR6 (0.47) HTR6MAPTALDH1A1GAATDP1
SCHEMBL21119176 0.76 NPC1 (0.51) MAPTALDH1A1GAATDP1TTR
SCHEMBL3858764 0.75 HTR6 (0.46) HTR6MAPTALDH1A1GAAMMP2
SCHEMBL3868026 0.72 HTR6 (0.85) HTR6
SCHEMBL3863159 0.72 HTR6 (1.00) HTR6
SCHEMBL17813120 0.71 MAPT (0.69) HTR6MAPTALDH1A1GAAKDM4E
SCHEMBL2153158 0.71 HTR6 (0.50) HTR6MAPTALDH1A1TDP1MMP2
SCHEMBL13431417 0.71 HTR6 (0.56) HTR6MAPTALDH1A1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592457-B2 3-aryl-3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-09-22 US claimed
EP-1650190-A1 3-aryl-3-methyl-quinoline-2,4-diones, preparation method thereof and pharmaceutical composition containing same Korea Research Institute of Chemical Technology (KR) 2006-04-26 EP claimed
US-20060084676-A1 3-aryl--3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-04-20 US claimed
US-7592457-B2 3-aryl-3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-09-22 US disclosed
US-7592457-B2 3-aryl-3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-09-22 US disclosed
US-7592457-B2 3-aryl-3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-09-22 US disclosed
EP-1650190-A1 3-aryl-3-methyl-quinoline-2,4-diones, preparation method thereof and pharmaceutical composition containing same Korea Research Institute of Chemical Technology (KR) 2006-04-26 EP disclosed
US-20060084676-A1 3-aryl--3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-04-20 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-20060084676-A1 3-aryl--3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same HTR6, HTR3B, HTR2C HTR6 1/4885MAPT 2080/4885ALDH1A1 1419/4885

“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.