SCHEMBL5453585

SCHEMBL5453585

CN1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 3/20 0.67
FLT3 P36888 1/20 0.65
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
ATM Q13315 1/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
GLA P06280 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
GAA P10253 1/20 0.57
HSD17B10 Q99714 1/20 0.57
REV1 Q9UBZ9 1/20 0.57
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
PAX8 Q06710 1/20 0.53

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
SCHEMBL5458048 0.86 KMT2A (0.89) KMT2AMEN1FLT3NPC1RAB9A
SCHEMBL13151131 0.82 KMT2A (0.68) KMT2AMEN1NPC1RAB9AATM
SCHEMBL8289859 0.81 MEN1 (0.68) KMT2AMEN1FLT3NPC1RAB9A
SCHEMBL5447691 0.81 MEN1 (0.68) KMT2AMEN1FLT3NPC1RAB9A
SCHEMBL3922474 0.79 FLT3 (1.00) KMT2AMEN1FLT3NPC1RAB9A
SCHEMBL5467649 0.79 FLT3 (0.94) KMT2AMEN1FLT3NPC1RAB9A
SCHEMBL10077174 0.79 KMT2A (0.63) KMT2AMEN1NPC1RAB9AATM
SCHEMBL5455726 0.78 FLT3 (0.97) KMT2AMEN1FLT3NPC1RAB9A
SCHEMBL8288845 0.78 FLT3 (0.97) KMT2AMEN1FLT3NPC1RAB9A
SCHEMBL8288834 0.78 PTPN2 (0.65) KMT2AMEN1ALDH1A1KDM4EMAPT

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 KMT2A 4785/4885MEN1 2891/4885FLT3 3509/4885

“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.