SCHEMBL5453572

SCHEMBL5453572

NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 10/20 0.73
FLT3 P36888 3/20 0.68
MEN1 O00255 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 1/20 0.68
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
TSHR P16473 2/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
ANO2 Q9NQ90 1/20 0.62
MAPT P10636 2/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 1/20 0.60
GFER P55789 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPK1 P28482 1/20 0.59

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
SCHEMBL4132192 0.99 ANO1 (0.76) ANO1FLT3MEN1CYP1A2CYP2C19
SCHEMBL20541812 0.87 ANO1 (0.69) ANO1MEN1KMT2AANO2MAPT
SCHEMBL3917198 0.87 ANO1 (0.67) ANO1FLT3MEN1CYP1A2CYP2C19
SCHEMBL4140828 0.86 ANO1 (0.70) ANO1MEN1KMT2AALDH1A1ANO2
SCHEMBL4132190 0.86 ANO1 (0.70) ANO1MEN1KMT2AALDH1A1ANO2
SCHEMBL3924390 0.86 ANO1 (0.97) ANO1FLT3MEN1CYP1A2CYP2C19
SCHEMBL8289690 0.84 ANO1 (1.00) ANO1FLT3MEN1CYP1A2CYP2C19
SCHEMBL20541969 0.84 PTPN1 (0.67) ANO1MEN1KMT2AHPGDANO2
SCHEMBL8289832 0.83 ANO1 (0.92) ANO1FLT3MEN1CYP1A2CYP2C19
SCHEMBL3914847 0.81 FLT3 (1.00) ANO1FLT3MEN1CYP1A2CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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 (1 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 ANO1 3245/4885FLT3 3509/4885MEN1 2891/4885

“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.