SCHEMBL13624263

SCHEMBL13624263

N=C(N)NCCC[C@H](N)CNc1ccc(N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALOX12 P18054 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F2 P00734 1/20 0.39
F7 P08709 1/20 0.39
RPS6KA3 P51812 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL13624257 0.83 MAPT (0.45) GAAMAPTSMN1; SMN2ALOX12L3MBTL1
SCHEMBL13624252 0.80 MAPT (0.47) GAAMAPTSMN1; SMN2ALOX12L3MBTL1
SCHEMBL13624265 0.78 CTSL (0.54) MAPTSMN1; SMN2L3MBTL1MAPK1HTT
SCHEMBL13624264 0.75 CTSL (0.53) SMN1; SMN2L3MBTL1MAPK1
SCHEMBL4368253 0.75 GAA (0.52) GAAMAPTSMN1; SMN2ALOX12L3MBTL1
SCHEMBL4368258 0.75 GAA (0.52) GAAMAPTSMN1; SMN2ALOX12L3MBTL1
SCHEMBL13624260 0.75 MAPT (0.44) GAAMAPTSMN1; SMN2ALOX12L3MBTL1
SCHEMBL13624259 0.74 MAPT (0.46) GAAMAPTSMN1; SMN2ALOX12L3MBTL1
SCHEMBL13624258 0.73 ALDH1A1 (0.42) GAAMAPTSMN1; SMN2ALOX12L3MBTL1
SCHEMBL13624250 0.72 MAPT (0.58) GAAMAPTSMN1; SMN2ALOX12L3MBTL1

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF GAA 2184/4885MAPT 480/4885SMN1; SMN2 4525/4885

“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.