SCHEMBL6852859

SCHEMBL6852859

CC(C)(CCl)C(=O)NNC(=O)C(C)(C)CCl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6578326 0.81
SCHEMBL6519888 0.81
SCHEMBL6850579 0.79
SCHEMBL7031804 0.75 HTT (0.40) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL19413865 0.74 RIPK1 (0.45) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL7036076 0.74 HTT (0.39) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL7036071 0.74 CNR1 (0.44) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL9476287 0.74 CTH (0.40) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL11369765 0.73 HTT (0.35) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL2994316 0.72 FAAH (0.43) HTTLMNAMEN1KMT2AALDH1A1

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-20120165541-A1 METHOD FOR THE PREPARATION OF W-AMINO- ALKANEAMIDES AND W-AMINO-ALKANETHIOAMIDES AS WELL AS INTERMEDIATES OF THIS METHOD SANDOZ AG 2012-06-28 US disclosed
US-20120165541-A1 METHOD FOR THE PREPARATION OF W-AMINO- ALKANEAMIDES AND W-AMINO-ALKANETHIOAMIDES AS WELL AS INTERMEDIATES OF THIS METHOD SANDOZ AG 2012-06-28 US disclosed
WO-2011012319-A1 METHOD FOR THE PREPARATION OF W-AMINO-ALKANEAMIDES AND W-AMINO-ALKANETHIOAMIDES AS WELL AS INTERMEDIATES OF THIS METHOD SANDOZ AG (CH) 2011-02-03 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-20120165541-A1 METHOD FOR THE PREPARATION OF W-AMINO- ALKANEAMIDES AND W-AMINO-ALKANETHIOAMIDES AS WELL AS INTERMEDIATES OF THIS METHOD ABHD6, AADAT, LYPLA2 HTT 3017/4885LMNA 1938/4885MEN1 4018/4885

“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.