SCHEMBL5458955

SCHEMBL5458955

COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.63
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
MEN1 O00255 6/20 0.62
ATM Q13315 1/20 0.61
FLT3 P36888 4/20 0.58
RECQL P46063 1/20 0.58
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 1/20 0.56
TNF P01375 1/20 0.55
NOD2 Q9HC29 1/20 0.55
NOD1 Q9Y239 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
PAX8 Q06710 1/20 0.53
PSMD14 O00487 1/20 0.53
OPRK1 P41145 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
SCHEMBL5453198 0.85 ATM (0.62) KMT2ARAB9ANPC1MEN1ATM
SCHEMBL8289827 0.84 KMT2A (0.82) KMT2ARAB9ANPC1MEN1FLT3
SCHEMBL20704813 0.84 FLT3 (0.80) KMT2ARAB9ANPC1MEN1FLT3
SCHEMBL5454292 0.79 KMT2A (0.76) KMT2ARAB9ANPC1MEN1ATM
SCHEMBL5459968 0.78 KMT2A (0.71) KMT2ARAB9ANPC1MEN1ATM
SCHEMBL17975309 0.76 KMT2A (0.57) KMT2ARAB9ANPC1MEN1ATM
SCHEMBL20704852 0.75 MEN1 (0.96) KMT2ARAB9ANPC1MEN1FLT3
SCHEMBL16445880 0.74 KMT2A (0.68) KMT2ARAB9ANPC1MEN1ATM
SCHEMBL13151131 0.74 KMT2A (0.68) KMT2ARAB9ANPC1MEN1ATM
SCHEMBL24425732 0.74 FLT3 (1.00) KMT2ARAB9ANPC1MEN1FLT3

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 KMT2A 4785/4885RAB9A 948/4885NPC1 2627/4885

“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.