SCHEMBL3563788

SCHEMBL3563788

O=C(O)NCC1OCCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
GAA P10253 1/20 0.74
KMT2A Q03164 5/20 0.71
LMNA P02545 2/20 0.71
MAPT P10636 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.67
MEN1 O00255 4/20 0.67
RAB9A P51151 3/20 0.67
BLM P54132 2/20 0.67
XBP1 P17861 1/20 0.66
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
KDM4E B2RXH2 3/20 0.60
POLB P06746 1/20 0.60
RECQL P46063 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL20700503 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL20700102 0.81 MAPT (0.53) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL7396662 0.80 L3MBTL1 (0.63) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL20921292 0.80 L3MBTL1 (0.63) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL20700525 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL3456382 0.78 ALDH1A1 (0.64) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL14452010 0.78 TAAR1 (0.60) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL19258004 0.78 ALDH1A1 (0.58) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL30782878 0.78 TAAR1 (0.60) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL20700121 0.78 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAAKMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
WO-2007123941-A2 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 WO 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 1036/4885L3MBTL1 1447/4885GAA 3567/4885

“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.