SCHEMBL31298053

SCHEMBL31298053

CN(C)C1CCN(C(=N)NC(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
MCHR1 Q99705 3/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
ATR Q13535 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
PDK2 Q15119 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL31298011 0.92 L3MBTL3 (0.52) KDM1AMAOAMAOBMCHR1L3MBTL3
SCHEMBL31298102 0.91 GAA (0.44) KDM1AMAOAMAOBMCHR1L3MBTL3
SCHEMBL6403300 0.81 GAA (0.47) GAA
SCHEMBL10293555 0.79 L3MBTL3 (0.69) KDM1AMAOAMAOBL3MBTL3ATR
SCHEMBL10293598 0.79 L3MBTL3 (0.69) KDM1AMAOAMAOBL3MBTL3ATR
SCHEMBL31298071 0.76 GAA (0.43) GAA
SCHEMBL31297972 0.75 HRH4 (0.45) GAAHDAC1
SCHEMBL31298051 0.74 KMT2A (0.62) NPSR1GAA
SCHEMBL8917126 0.73 L3MBTL3 (0.84) L3MBTL3
SCHEMBL2889406 0.72 MCHR1 (0.73) MCHR1L3MBTL3ATRHRH3HDAC1

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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 KDM1A 2299/4885MAOA 3660/4885MAOB 3792/4885

“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.