SCHEMBL3914877

SCHEMBL3914877

CC1CCc2sc(N)c(C(N)=O)c2C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.78
ALDH1A1 P00352 14/20 0.78
KDM4E B2RXH2 9/20 0.78
HPGD P15428 9/20 0.78
HSD17B10 Q99714 5/20 0.78
ALOX15 P16050 5/20 0.78
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
USP2 O75604 1/20 0.57
RECQL P46063 1/20 0.57
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ANO1 Q5XXA6 1/20 0.56
MAPK1 P28482 1/20 0.55
GAA P10253 2/20 0.52
TSHR P16473 2/20 0.52
ALOX12 P18054 1/20 0.52
GLA P06280 1/20 0.49
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48

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
SCHEMBL1718839 0.88 MAPT (1.00) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3914870 0.84 MAPT (0.56) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10720071 0.81 MAPT (0.56) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3913632 0.80 ALDH1A1 (0.81) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8290721 0.79 KDM4E (0.64) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19320734 0.78 MAPT (0.50) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22543296 0.77 MAPT (0.48) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5455799 0.76 FLT3 (0.68) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19140590 0.76 MAPT (0.63) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5460122 0.76 MEN1 (0.61) MAPTALDH1A1KDM4EHPGDHSD17B10

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 10 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
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 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
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 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 3062/4885ALDH1A1 4718/4885KDM4E 2651/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 MAPT 2046/4885ALDH1A1 4655/4885KDM4E 2941/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B MAPT 2119/4885ALDH1A1 4146/4885KDM4E 2173/4885

“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.