SCHEMBL5453678

SCHEMBL5453678

NC(=O)c1c(NC(=O)NCCCn2ccnc2)sc2c1CCOC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CFTR P13569 1/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
QPCT Q16769 1/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NAMPT P43490 1/20 0.43
UBE2N P61088 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
PTPRC P08575 1/20 0.40

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
SCHEMBL5455772 0.81 CFTR (0.54) CYP1A2CYP2C19CFTRALDH1A1L3MBTL1
SCHEMBL5451580 0.78 CFTR (0.56) CYP1A2CYP2C19CFTRALDH1A1MAPT
SCHEMBL5450954 0.78 CFTR (0.52) CYP1A2CYP2C19CFTRALDH1A1KDM4E
SCHEMBL5465529 0.75 CFTR (0.53) CYP1A2CYP2C19CFTRALDH1A1KDM4E
SCHEMBL5459433 0.75 CFTR (0.55) CYP1A2CYP2C19CFTRKDM4EUBE2N
SCHEMBL5450850 0.75 CFTR (0.58) CYP1A2CYP2C19CFTRALDH1A1MAPT
SCHEMBL5453210 0.74 CFTR (0.59) CFTRALDH1A1MAPTKMT2APOLB
SCHEMBL5467760 0.73 LMNA (0.54) CFTRALDH1A1L3MBTL1LMNAALOX15
SCHEMBL5458458 0.72 CFTR (0.57) CFTRALDH1A1MAPTHSD17B10KMT2A
SCHEMBL5460329 0.72 CFTR (0.62) CYP1A2CYP2C19CFTRALDH1A1MAPT

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 CYP1A2 2035/4885CYP3A4 1171/4885CYP2D6 683/4885

“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.