SCHEMBL5115243

SCHEMBL5115243

COCNC(=O)C1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
PARP1 P09874 1/20 0.49
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
HSD11B1 P28845 1/20 0.47

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
SCHEMBL5077234 1.00 HTT (0.59) HTTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL14313090 1.00 HTT (0.59) HTTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL6473595 0.93 HTT (0.67) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4004604 0.89 HTT (0.58) HTTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL5141182 0.89 HTT (0.60) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL29806133 0.87 KMT2A (0.58) HTTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL895978 0.86 HTT (0.77) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4130473 0.86 SMN1; SMN2 (0.58) HTTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL1441223 0.85 SMN1; SMN2 (0.59) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL20129713 0.85 SMN1; SMN2 (0.59) HTTRAB9ANPC1SMN1; SMN2KMT2A

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-7452906-B2 Pyridine derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2008-11-18 US disclosed
EP-1423384-B1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2007-05-23 EP disclosed
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-25 US 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-20040235843-A1 Pyridine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF HTT 1511/4885RAB9A 1357/4885NPC1 2752/4885

“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.