SCHEMBL13527273

SCHEMBL13527273

[N-]=[N+]=NCCNC(=O)c1ccc(N=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL13655549 0.80 RAB9A (0.57) LMNAPOLBHDAC3HDAC1HDAC8
SCHEMBL13655565 0.80 NPC1 (0.56) LMNAPOLBHDAC3HDAC1HDAC2
SCHEMBL15298855 0.80 SCN1A (0.46) SCN1ASCN2ASCN3ALMNAPOLB
SCHEMBL24419849 0.80 SCN1A (0.46) SCN1ASCN2ASCN3ALMNAPOLB
SCHEMBL13527116 0.78 MAPT (0.59) LMNAPOLBHDAC3HDAC1HDAC2
SCHEMBL16506627 0.78 NPC1 (0.44) SCN1ASCN2ASCN3ALMNAHDAC3
SCHEMBL19941397 0.77 KDM4E (0.57) SCN1ASCN2ASCN3ALMNAPOLB
SCHEMBL25390106 0.77 SCN1A (0.71) SCN1ASCN2ASCN3ALMNAPOLB
SCHEMBL24209234 0.76 SCN1A (0.57) SCN1ASCN2ASCN3AHDAC3HDAC1
SCHEMBL13655557 0.76 HDAC3 (0.56) SCN1ASCN2ASCN3AHDAC3HDAC1

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-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20100016955-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 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 (2 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-20100016955-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, VIP SCN1A 4868/4885SCN2A 4873/4885SCN3A 4611/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 SCN1A 3468/4885SCN2A 3990/4885SCN3A 3225/4885

“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.