SCHEMBL3923653

SCHEMBL3923653

C=C(C)C(=O)Nc1sc2c(c1C(N)=O)CCCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2C19 P33261 1/20 0.74
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 5/20 0.65
TSHR P16473 3/20 0.65
HPGD P15428 3/20 0.65
ALOX15 P16050 1/20 0.65
HSD17B10 Q99714 1/20 0.65
ANO1 Q5XXA6 1/20 0.64
MAPK1 P28482 1/20 0.61
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
GFER P55789 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57

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
SCHEMBL3914847 0.85 FLT3 (1.00) FLT3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL11485439 0.84 PTPN1 (0.78) FLT3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8289718 0.84 FLT3 (0.97) FLT3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8289499 0.83 ALDH1A1 (0.73) FLT3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5455970 0.83 PTPN1 (0.59) FLT3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8289415 0.82 KDM4E (1.00) FLT3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8289688 0.82 ALDH1A1 (0.76) FLT3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5467546 0.82 FLT3 (0.76) FLT3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5447630 0.82 CFTR (0.61) FLT3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5451666 0.81 FLT3 (0.74) FLT3MEN1KMT2ACYP1A2CYP2C19

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 12 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO 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 (4 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 FLT3 1858/4885MEN1 2985/4885KMT2A 3792/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 FLT3 3509/4885MEN1 2891/4885KMT2A 4785/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 FLT3 1906/4885MEN1 2405/4885KMT2A 3324/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B FLT3 832/4885MEN1 4022/4885KMT2A 4066/4885

“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.