SCHEMBL9952942

SCHEMBL9952942

CN(C)C(CCCNC(=N)N)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPY4R P50391 10/20 0.33
NPY1R P25929 8/20 0.33
NPY5R Q15761 8/20 0.33
NPY2R P49146 5/20 0.33
ALB P02768 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
OTC P00480 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL9952753 1.00 ALOX15 (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL196827 0.88 NOS2 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20099674 0.88 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL29770073 0.88 NOS2 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL160690 0.88 NOS2 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL288819 0.88 NOS2 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL995563 0.88 NOS2 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2595285 0.87 NOS3 (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL12078437 0.87 NOS3 (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2595284 0.87 NOS3 (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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-20120196933-A1 MEXILETINE PRODRUGS FRANKLIN RICHARD (GB) 2012-08-02 US disclosed
WO-2012085586-A1 MEXILETINE PRODRUGS SHIRE, LLC (US) 2012-06-28 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-20120196933-A1 MEXILETINE PRODRUGS SLC16A1, MTPN, SLC16A3 ALOX15 2238/4885MEN1 80/4885CYP1A2 773/4885

“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.