SCHEMBL5452205

SCHEMBL5452205

COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1sc2c(c1C(N)=O)CCSC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.52
KMT2A Q03164 13/20 0.52
MAPT P10636 6/20 0.52
POLB P06746 3/20 0.52
BLM P54132 3/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
FLT3 P36888 4/20 0.46
RECQL P46063 2/20 0.46
PYGL P06737 1/20 0.44
PDE4B Q07343 1/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RAD52 P43351 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL5458413 0.88 KMT2A (0.64) MEN1KMT2AMAPTPOLBBLM
SCHEMBL5450630 0.88 MAPT (0.46) MEN1KMT2AMAPTPOLBBLM
SCHEMBL5453162 0.82 KCNH2 (0.48) MEN1KMT2APDE4BNPC1RAB9A
SCHEMBL5446299 0.79 PDE4B (0.45) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5451626 0.79 PDE4B (0.55) MEN1KMT2AFLT3PDE4BNPC1
SCHEMBL5447330 0.78 FLT3 (0.47) MEN1KMT2AFLT3RECQLRAB9A
SCHEMBL5460149 0.78 PDE4B (0.49) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL5456038 0.77 FLT3 (0.56) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL5453159 0.75 FLT3 (0.55) MAPTSMN1; SMN2FLT3NPC1RAB9A
SCHEMBL5460961 0.75 FLT3 (0.55) MEN1KMT2AMAPTLMNAALDH1A1

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 MEN1 2891/4885KMT2A 4785/4885MAPT 21/4885

“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.