SCHEMBL5068065

SCHEMBL5068065

Cn1nnnc1-c1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KMO O15229 2/20 0.48
XDH P47989 1/20 0.46
MYC P01106 1/20 0.46
NR4A1 P22736 1/20 0.46
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
ALDH1A1 P00352 3/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
LRRK2 Q5S007 2/20 0.40
POLB P06746 2/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 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
SCHEMBL5063444 0.89 SMN1; SMN2 (0.50) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL29037233 0.87 MKNK1 (0.50) SMN1; SMN2KMOCASP1ABCC9ABCC8
SCHEMBL5063209 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL23023473 0.83 PPM1B (0.47) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL6278071 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KMOTSHRABCC9ABCC8
SCHEMBL14575819 0.75 ABCC9 (0.51) SMN1; SMN2TSHRABCC9ABCC8KCNJ11
SCHEMBL5064586 0.74 XDH (0.49) SMN1; SMN2XDHMYCNR4A1TSHR
SCHEMBL2770320 0.74 TSHR (0.68) SMN1; SMN2KMOXDHMYCNR4A1
SCHEMBL13838519 0.73 SMN1; SMN2 (0.56) SMN1; SMN2KMOTSHRABCC9ABCC8
SCHEMBL3348705 0.72 SMN1; SMN2 (0.44) SMN1; SMN2KMOCASP1ABCC9ABCC8

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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 SMN1; SMN2 3056/4885KMO 3087/4885XDH 514/4885

“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.