SCHEMBL5458413

SCHEMBL5458413

COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1sc2c(c1C(N)=O)CCCC2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
MEN1 O00255 8/20 0.64
MAPT P10636 4/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 2/20 0.64
FLT3 P36888 7/20 0.60
RECQL P46063 1/20 0.60
POLB P06746 2/20 0.55
MAPK1 P28482 2/20 0.55
BLM P54132 1/20 0.55
CCR6 P51684 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5456038 0.89 FLT3 (0.56) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL5452205 0.88 MEN1 (0.52) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL5453184 0.81 CCR6 (0.60) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL5460669 0.80 PDE4B (0.58) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL5455819 0.78 PDE4B (0.59) KMT2AMEN1MAPTALDH1A1FLT3
SCHEMBL5450630 0.78 MAPT (0.46) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL5448435 0.77 PDE4B (0.72) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL5457889 0.77 CFTR (0.55) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL5456151 0.76 FLT3 (0.62) KMT2AMEN1ALDH1A1FLT3RECQL
SCHEMBL5466959 0.76 PDE4B (0.64) KMT2AMEN1MAPTLMNAALDH1A1

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 2891/4885MAPT 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.