SCHEMBL10309062

SCHEMBL10309062

Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
NPSR1 Q6W5P4 1/20 1.00
KMT2A Q03164 6/20 0.71
MEN1 O00255 5/20 0.71
MAPK1 P28482 4/20 0.69
TP53 P04637 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TSHR P16473 3/20 0.62
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
USP2 O75604 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL10309073 0.87 ALDH1A1 (0.76) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL30044536 0.85 ALDH1A1 (0.74) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL10309061 0.85 ALDH1A1 (0.74) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL10309248 0.73 MEN1 (0.65) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL5075295 0.72 DPP4 (0.71) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL6876786 0.72 GAA (0.58) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL5075051 0.72 DPP4 (0.70) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL555918 0.71 ALDH1A1 (0.81) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL555919 0.71 ALDH1A1 (0.81) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL25211939 0.70 GAA (0.57) ALDH1A1NPSR1MAPK1SMN1; SMN2TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178769-A1 NOVEL COMPOUNDS FOR INHIBITING EEF-2 KINASE ACTIVITY THE UNIVERSITY OF MEDICINE AND DENTISTRY (US) 2012-07-12 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-20120178769-A1 NOVEL COMPOUNDS FOR INHIBITING EEF-2 KINASE ACTIVITY EEF2K, EEF2, EEF1B2 ALDH1A1 3850/4885NPSR1 4409/4885KMT2A 1478/4885

“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.