SCHEMBL13480992

SCHEMBL13480992

O=C(Oc1ccno1)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 6/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 4/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL28864240 0.71 ALDH1A1 (0.76) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL203961 0.71
SCHEMBL20855352 0.70
SCHEMBL30473912 0.69 ALDH1A1 (0.56) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL30632968 0.69 ALDH1A1 (0.72) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL27795067 0.68 ALDH1A1 (0.82) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL13480988 0.68 KMT2A (0.51) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL30449933 0.68 ALDH1A1 (0.50) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL16372067 0.68 ALDH1A1 (0.54) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL30437353 0.68 ALDH1A1 (0.54) ALDH1A1POLBKMT2ASMN1; SMN2MEN1

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-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 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-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF AQP4, AQP1, AQP3 ALDH1A1 4045/4885POLB 4655/4885KMT2A 3838/4885

“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.