SCHEMBL3985017

SCHEMBL3985017

CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC/C2=N\O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.70
KDM4E B2RXH2 4/20 0.70
HPGD P15428 4/20 0.70
ALDH1A1 P00352 4/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
CNR2 P34972 1/20 0.56
TLR2 O60603 3/20 0.55
TP53 P04637 3/20 0.55
TDP1 Q9NUW8 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PDE4D Q08499 1/20 0.52

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
SCHEMBL3985021 1.00 MAPT (0.70) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL3993545 0.88 ALDH1A1 (0.71) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL8290510 0.85 MAPT (0.77) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3916162 0.83 MAPT (0.80) MAPTKDM4EHPGDALDH1A1CNR2
SCHEMBL13576561 0.79 ALDH1A1 (0.65) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL3924737 0.79 MAPT (0.77) MAPTKDM4EHPGDALDH1A1CNR2
SCHEMBL3986487 0.79 ALDH1A1 (0.63) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3986490 0.79 ALDH1A1 (0.63) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL8290356 0.78 TSHR (0.73) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL19197517 0.77 ALDH1A1 (0.52) MAPTKDM4EHPGDALDH1A1L3MBTL1

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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US claimed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 US claimed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US disclosed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 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 (3 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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM MAPT 3062/4885KDM4E 2651/4885HPGD 964/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 MAPT 2046/4885KDM4E 2941/4885HPGD 852/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B MAPT 2119/4885KDM4E 2173/4885HPGD 2459/4885

“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.