SCHEMBL5282599

SCHEMBL5282599

CCOC(=O)Cn1ccc(-c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL10247836 0.84 ALDH1A1 (0.55) HTTTSHRMEN1KMT2AGAA
Propane SCHEMBL11622678 0.82 KMT2A (0.49) HTTKMT2AALDH1A1SMN1; SMN2KDM4E
Ethane SCHEMBL11626038 0.80 KMT2A (0.50) HTTKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL5206196 0.80 KMT2A (0.48) HTTKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL28397299 0.79 SRC (0.59) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL2822660 0.79 GAA (0.49) HTTTSHRMEN1KMT2AGAA
Methane SCHEMBL11623540 0.79 KMT2A (0.47) HTTKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL4091149 0.78 ALDH1A1 (0.44) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL28125302 0.78 PLA2G4A (0.47) HTTTSHRMEN1KMT2AGAA
SCHEMBL8684343 0.78 HTT (0.57) HTTTSHRMEN1KMT2AGAA

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
EP-0388659-A1 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4888352-A 3,4, or 5-aryl-1H-pyrazole-1-alkanamides as antiarrhythmic agents, compositions and use STERLING DRUG INC. (US) 1989-12-19 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HTT 4781/4885TSHR 4292/4885MEN1 2853/4885

“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.