SCHEMBL5573619

SCHEMBL5573619

O=C(O)N1CCN(c2nsnc2OCc2ccnc(F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 5/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 1/20 0.36
HTR1A P08908 1/20 0.36
LIPA P38571 3/20 0.36
GAA P10253 1/20 0.36
AOC3 Q16853 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A7 Q99884 1/20 0.35

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
SCHEMBL5572898 0.87 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL5572377 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL2382754 0.82 TRPV1 (0.45) HSD17B10HTTNPSR1MAPTLMNA
SCHEMBL5573635 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL4312668 0.73 NPSR1 (0.52) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL5572976 0.73 TRPV1 (0.44) HSD17B10HTTNPSR1MAPTLMNA
SCHEMBL5572916 0.72 TRPV1 (0.45) HTTMAPTLMNASMN1; SMN2
SCHEMBL2383795 0.72 GPR119 (0.53) AOC3
SCHEMBL2384061 0.72 GPR119 (0.63) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL2385310 0.72 TRPV1 (0.44) HSD17B10NPSR1

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 3053/4885HSD17B10 3740/4885TSHR 4226/4885

“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.