SCHEMBL5453561

SCHEMBL5453561

CN1CCc2c(sc(NC(=O)C=CC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.61
ATM Q13315 2/20 0.59
KMT2A Q03164 10/20 0.57
MEN1 O00255 6/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
PAX8 Q06710 1/20 0.52
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL5453554 1.00 KCNH2 (0.61) KCNH2ATMKMT2AMEN1KDM4E
SCHEMBL18902248 0.89 KCNH2 (0.76) KCNH2ATMKMT2AMEN1KDM4E
SCHEMBL5459048 0.80 KMT2A (0.59) ATMKMT2AMEN1KDM4ENPC1
SCHEMBL5459039 0.80 KMT2A (0.59) ATMKMT2AMEN1KDM4ENPC1
SCHEMBL17022020 0.77 KCNH2 (0.79) KCNH2ATMKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL17006318 0.76 KCNH2 (0.79) KCNH2ATMKMT2AMEN1KDM4E
SCHEMBL5453655 0.76 KMT2A (0.66) KCNH2ATMKMT2AMEN1ALDH1A1
SCHEMBL17022007 0.76 KCNH2 (0.66) KCNH2ATMKMT2AMEN1KDM4E
SCHEMBL2682306 0.76 KCNH2 (1.00) KCNH2ATMKMT2AMEN1KDM4E
SCHEMBL17021989 0.76 KCNH2 (0.72) KCNH2ATMKMT2AMEN1KDM4E

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 KCNH2 3409/4885ATM 2057/4885KMT2A 4785/4885

“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.