SCHEMBL5572377

SCHEMBL5572377

O=C(O)N1CCN(c2nsnc2OCc2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
HRH4 Q9H3N8 1/20 0.46
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GPR119 Q8TDV5 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
GRM5 P41594 2/20 0.41
SLC6A7 Q99884 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
LIPA P38571 3/20 0.40
HTR1A P08908 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5573619 0.85 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL5572898 0.85 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL2384061 0.85 GPR119 (0.63) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL2383819 0.84 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL2384241 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL2383667 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL2385264 0.81 GPR119 (0.59) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL2384294 0.81 EPHX2 (0.55) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL12250851 0.81 EPHX2 (0.55) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL2384971 0.81 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10ALOX15MAPK1

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-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR ALDH1A1 3053/4885TSHR 4226/4885HSD17B10 3740/4885

“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.