SCHEMBL8070347

SCHEMBL8070347

CC(C)(C)CNC(=O)CN1CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
PIM1 P11309 4/20 0.35
PARG Q86W56 1/20 0.35
MEN1 O00255 2/20 0.35
FAAH O00519 1/20 0.35
NAAA Q02083 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1H O95180 1/20 0.35
GSK3B P49841 1/20 0.34
POLB P06746 2/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL30748129 0.78 KMT2A (0.42) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL6877063 0.72 KMT2A (0.42) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL3579845 0.71 PLA2G10 (0.46) KMT2ARAB9ASCN9AALDH1A1KDM4E
SCHEMBL176995 0.70 POLB (0.44) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL8063156 0.69 ALDH1A1 (0.60) SIGMAR1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL28931873 0.69 FAAH (0.51) RAB9AALDH1A1PARGFAAHNAAA
SCHEMBL6283661 0.69 KMT2A (0.37) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL15964104 0.69 KMT2A (0.57) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL3452808 0.69 TSHR (0.50) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL18177907 0.68 ALDH1A1 (0.63) SIGMAR1KMT2AALDH1A1KDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 US disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 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-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD SIGMAR1 2910/4885KMT2A 4616/4885RAB9A 1682/4885

“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.