SCHEMBL3435649

SCHEMBL3435649

C[C@@H]1CN(c2ccccc2N)C[C@H](C)N1CC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
ADRA2C P18825 1/20 0.41
KEAP1 Q14145 1/20 0.39
HSD11B1 P28845 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
BRD4 O60885 3/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
S100A4 P26447 1/20 0.34
BRCA1 P38398 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL3436281 0.86 AR (0.44) SIRT2SIRT1SIGMAR1ALDH1A1POLB
SCHEMBL18040065 0.80 GAA (0.51) MEN1KMT2AUSP2GAAADRA2C
SCHEMBL3435994 0.80 HTR1A (0.53) MEN1KMT2AGAASIRT2SIRT1
SCHEMBL3434276 0.75 SLC6A9 (0.53) MEN1KMT2AUSP2GAASIRT2
SCHEMBL3435656 0.75 SLC6A9 (0.53) MEN1KMT2AUSP2GAASIRT2
SCHEMBL18040067 0.75 GAA (0.56) MEN1KMT2AUSP2GAAADRA2C
SCHEMBL2077401 0.73 ADRA2C (0.53) MEN1KMT2AUSP2GAAADRA2C
SCHEMBL3799680 0.71 MEN1 (0.46) MEN1KMT2AUSP2GAAADRA2C
SCHEMBL19046223 0.69 APEX1 (0.35) SIGMAR1
SCHEMBL3435677 0.69 KEAP1 (0.53) MEN1KMT2AUSP2GAAADRA2C

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MEN1 4778/4885KMT2A 1707/4885USP2 1496/4885

“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.