SCHEMBL5063444

SCHEMBL5063444

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
KMO O15229 1/20 0.48
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
KMT2A Q03164 2/20 0.40
LRRK2 Q5S007 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.39
HPGD P15428 1/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MEN1 O00255 1/20 0.35
WNT1 P04628 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
SCHEMBL5068065 0.89 SMN1; SMN2 (0.50) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL29037233 0.87 MKNK1 (0.50) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL5063209 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL7466436 0.77 ABCC9 (0.50) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL6278071 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL23023473 0.74 PPM1B (0.47) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL5058907 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL13838519 0.73 SMN1; SMN2 (0.56) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL3348705 0.72 SMN1; SMN2 (0.44) SMN1; SMN2KMOABCC9ABCC8KCNJ11
SCHEMBL5183085 0.71 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1LMNAMAPTCYP2C9

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
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
CN-1133372-C Insecticidal N -(substituted arylmethyl) -4 -[bis (substituted phenyl or pyridyl) methyl] piperidines FMC 2004-01-07 CN disclosed
CN-1184405-A Insecticidal N -(substituted arylmethyl) -4 -[bis (substituted phenyl or pyridyl) methyl] piperidines FMC CORP (US) 1998-06-10 CN 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 3087/4885ABCC9 1049/4885

“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.