SCHEMBL3917243

SCHEMBL3917243

CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCC2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.79
CNR2 P34972 2/20 0.74
TP53 P04637 4/20 0.73
HPGD P15428 5/20 0.67
HSD17B10 Q99714 5/20 0.67
KDM4E B2RXH2 4/20 0.67
MAPK1 P28482 3/20 0.67
ALDH1A1 P00352 3/20 0.67
TDP1 Q9NUW8 2/20 0.66
CNR1 P21554 1/20 0.65
NPSR1 Q6W5P4 3/20 0.64
GAA P10253 1/20 0.64
USP2 O75604 1/20 0.63
ALOX15 P16050 1/20 0.63
PTGER2 P43116 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
POLB P06746 1/20 0.62
MEN1 O00255 1/20 0.61

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
SCHEMBL21247199 0.89 MAPT (1.00) MAPTCNR2TP53HPGDHSD17B10
SCHEMBL3916162 0.88 MAPT (0.80) MAPTCNR2TP53HPGDHSD17B10
SCHEMBL268761 0.87 CNR2 (0.70) MAPTCNR2TP53HPGDHSD17B10
SCHEMBL21247263 0.86 MAPT (0.96) MAPTCNR2TP53HPGDHSD17B10
SCHEMBL3039770 0.86 CNR2 (0.69) MAPTCNR2TP53HPGDHSD17B10
SCHEMBL8290510 0.86 MAPT (0.77) MAPTCNR2TP53HPGDHSD17B10
SCHEMBL267472 0.85 MAPT (0.67) MAPTCNR2TP53HPGDHSD17B10
SCHEMBL3924737 0.84 MAPT (0.77) MAPTCNR2TP53HPGDHSD17B10
SCHEMBL7892222 0.84 MAPT (0.84) MAPTCNR2TP53HPGDHSD17B10
SCHEMBL3914054 0.83 MAPT (0.82) MAPTCNR2TP53HPGDHSD17B10

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 3062/4885CNR2 3820/4885TP53 1772/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 MAPT 2046/4885CNR2 3953/4885TP53 1999/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B MAPT 2119/4885CNR2 4353/4885TP53 563/4885

“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.