SCHEMBL5450840

SCHEMBL5450840

NC(=O)c1c(NC(=O)NCc2ccco2)sc2c1CCOC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.54
ALDH1A1 P00352 12/20 0.50
HPGD P15428 9/20 0.50
HSD17B10 Q99714 4/20 0.50
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
FLT3 P36888 2/20 0.48
KDM4E B2RXH2 7/20 0.48
GAA P10253 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
POLB P06746 4/20 0.46
THRB P10828 1/20 0.45
MEN1 O00255 6/20 0.45

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
SCHEMBL5459985 0.85 CFTR (0.57) CFTRALDH1A1HPGDMAPTRAB9A
SCHEMBL5467472 0.83 PTPN1 (0.48) ALDH1A1HPGDHSD17B10TSHRL3MBTL1
SCHEMBL5456106 0.83 CFTR (0.58) CFTRMAPTRAB9ANPC1FLT3
SCHEMBL5458021 0.81 CFTR (0.58) CFTRRAB9ANPC1FLT3MEN1
SCHEMBL5459377 0.81 CFTR (0.60) CFTRMAPTRAB9ANPC1FLT3
SCHEMBL5460090 0.80 ALDH1A1 (0.74) CFTRALDH1A1HPGDHSD17B10TSHR
SCHEMBL5456065 0.80 CFTR (0.56) CFTRMAPTRAB9ANPC1FLT3
SCHEMBL5459795 0.79 KMT2A (0.59) CFTRALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL5451580 0.79 CFTR (0.56) CFTRALDH1A1HPGDHSD17B10TSHR
SCHEMBL5458411 0.78 CFTR (0.55) CFTRMAPTFLT3THRBMEN1

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 2 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
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 CFTR 2030/4885ALDH1A1 1153/4885HPGD 2361/4885

“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.