SCHEMBL3676901

SCHEMBL3676901

C[N+](C)(C#N)CC(CC(=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
HRH1 P35367 1/20 0.41
CYP2C19 P33261 2/20 0.39
RECQL P46063 1/20 0.39
SLC22A16 Q86VW1 1/20 0.36
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CRAT P43155 1/20 0.34
SLC25A20 O43772 3/20 0.34
TP53 P04637 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
SLC6A5 Q9Y345 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 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
SCHEMBL793089 0.82 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3677887 0.78 MEN1 (0.68) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL8754885 0.72 SLC25A20 (0.46) MEN1KMT2ACYP1A2HRH1CYP2C19
Water SCHEMBL3680487 0.72 SLC22A16 (0.64) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3668709 0.72 SLC22A16 (0.64) MEN1KMT2ACYP1A2HRH1CYP2C19
Perchlorate SCHEMBL8747866 0.71 MEN1 (0.37) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL6664365 0.70 SLC22A16 (0.42) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3669963 0.70 SLC22A16 (0.42) MEN1KMT2ACYP1A2HRH1CYP2C19
Hydrochloric Acid SCHEMBL3675692 0.70 SLC22A16 (0.62) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3668668 0.70 SLC22A16 (0.42) MEN1KMT2ACYP1A2HRH1CYP2C19

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-7714166-B2 Process for producing carnitinamide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-05-11 US disclosed
US-20090143616-A1 Process for Producing Carnitinamide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-06-04 US disclosed
CN-101304965-A Process for producing carnitinamide MITSUBISHI GAS CHEMICAL CO (JP) 2008-11-12 CN disclosed
EP-1930314-A1 PROCESS FOR PRODUCING CARNITINAMIDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-06-11 EP 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-20090143616-A1 Process for Producing Carnitinamide CRAT, NISCH, NAAA MEN1 343/4885KMT2A 754/4885CYP1A2 2648/4885

“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.