SCHEMBL3923796

SCHEMBL3923796

CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2

nearest known ligand 0.98

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.98
TP53 P04637 3/20 0.98
FLT3 P36888 3/20 0.76
MEN1 O00255 1/20 0.76
RECQL P46063 1/20 0.76
KMT2A Q03164 1/20 0.76
CNR2 P34972 1/20 0.72
POLB P06746 2/20 0.70
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
USP2 O75604 1/20 0.65
ALOX15 P16050 1/20 0.65
CASP1 P29466 1/20 0.65
CASP7 P55210 1/20 0.65
HPGD P15428 2/20 0.64
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL20704641 0.89 MAPT (0.79) MAPTTP53FLT3MEN1RECQL
SCHEMBL8290405 0.86 FLT3 (1.00) MAPTTP53FLT3MEN1RECQL
SCHEMBL29766887 0.86 FLT3 (1.00) MAPTTP53FLT3MEN1RECQL
SCHEMBL22095967 0.85 FLT3 (1.00) MAPTTP53FLT3MEN1RECQL
SCHEMBL7892222 0.85 MAPT (0.84) MAPTTP53CNR2KDM4EALDH1A1
SCHEMBL20704522 0.85 FLT3 (0.73) MAPTTP53FLT3CNR2POLB
SCHEMBL24425732 0.84 FLT3 (1.00) MAPTTP53FLT3MEN1RECQL
SCHEMBL3914054 0.84 MAPT (0.82) MAPTTP53FLT3MEN1KMT2A
SCHEMBL30148150 0.84 FLT3 (1.00) MAPTTP53FLT3MEN1RECQL
SCHEMBL3917114 0.84 MAPT (0.82) MAPTTP53FLT3CNR2KDM4E

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-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
EP-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 EP 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
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 WO 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 3062/4885TP53 1772/4885FLT3 1858/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 MAPT 2046/4885TP53 1999/4885FLT3 1906/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B MAPT 2119/4885TP53 563/4885FLT3 832/4885

“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.