SCHEMBL5450860

SCHEMBL5450860

NC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCC2

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.78
KMT2A Q03164 5/20 0.78
ALDH1A1 P00352 2/20 0.78
GAA P10253 2/20 0.78
MAPT P10636 2/20 0.78
LMNA P02545 1/20 0.78
FLT3 P36888 9/20 0.71
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
TLR2 O60603 2/20 0.67
TNIK Q9UKE5 1/20 0.64
CFTR P13569 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
EPHB4 P54760 1/20 0.60
ANO1 Q5XXA6 2/20 0.60

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
SCHEMBL8290385 0.97 MEN1 (0.74) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5448370 0.93 MEN1 (0.68) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5455976 0.90 KMT2A (0.64) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4234573 0.89 FLT3 (0.72) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5467902 0.88 FLT3 (0.72) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5455065 0.88 MEN1 (0.79) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5462791 0.88 FLT3 (0.72) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5446174 0.87 FLT3 (0.71) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL18015730 0.86 KCNH2 (0.71) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5453264 0.86 FLT3 (0.71) MEN1KMT2AALDH1A1GAAMAPT

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 6 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-9963452-B2 Methods, compounds, and compositions for inhibition of ROS AUGUSTA PHARMACEUTICALS INC. (US) 2018-05-08 US disclosed
US-20160031890-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS GRUENEBERG, Dorre A. 2016-02-04 US disclosed
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 (2 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 MEN1 2891/4885KMT2A 4785/4885ALDH1A1 1153/4885
US-20160031890-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS ROS1, NOX4, NOX1 MEN1 4070/4885KMT2A 2243/4885ALDH1A1 1362/4885

“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.