SCHEMBL3436239

SCHEMBL3436239

CCOC(=O)C1CCCN(c2ccccc2N)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
S100A4 P26447 1/20 0.53
RECQL P46063 1/20 0.53
LGMN Q99538 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL3436332 0.88 ALDH1A1 (0.63) ALDH1A1KMT2AHPGDHSD17B10TDP1
SCHEMBL17599416 0.86 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDHSD17B10TDP1
SCHEMBL2080093 0.85 LGMN (0.71) ALDH1A1KMT2AHPGDHTTKDM4E
SCHEMBL6311733 0.83 KEAP1 (0.47) ALDH1A1KMT2AHPGDHSD17B10TDP1
SCHEMBL31175186 0.82 ALDH1A1 (0.70) ALDH1A1KMT2AHPGDHSD17B10SMN1; SMN2
SCHEMBL3435049 0.81 ALDH1A1 (0.70) ALDH1A1KMT2AHPGDHSD17B10TDP1
SCHEMBL21848213 0.80 SHMT2 (0.59) ALDH1A1KMT2AHPGDTDP1SMN1; SMN2
SCHEMBL17599445 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AHPGDHSD17B10TDP1
SCHEMBL17612867 0.79 LGMN (0.57) ALDH1A1KMT2AHPGDHSD17B10SMN1; SMN2
SCHEMBL2078997 0.78 MEN1 (0.51) ALDH1A1KMT2AHPGDHSD17B10TDP1

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 4 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-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
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 ALDH1A1 975/4885KMT2A 1707/4885HPGD 1166/4885

“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.