SCHEMBL13655619

SCHEMBL13655619

CCCCNC(=O)CN=[N+]=[N-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MMP2 P08253 2/20 0.44
CASP2 P42575 1/20 0.44
HPGD P15428 1/20 0.44
EPHX1 P07099 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NAAA Q02083 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MMP1 P03956 1/20 0.41
ACHE P22303 1/20 0.40
FAAH O00519 1/20 0.40
CNR1 P21554 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39

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
SCHEMBL23353390 0.95 CASP2 (0.52) CA2CA9CASP2EPHX1MEN1
SCHEMBL13655625 0.93 CASP2 (0.55) CA2CA9CASP2EPHX1MEN1
SCHEMBL13887521 0.86 CA2 (0.48) CA2CA9CASP2EPHX1MEN1
SCHEMBL16014560 0.85 CA2 (0.47) CA2CA9CASP2MEN1KMT2A
SCHEMBL28480824 0.83 CA2 (0.46) CA2CA9MEN1KMT2ANAAA
SCHEMBL21787020 0.82 CASP2 (0.50) MMP2CASP2HPGDNAAAFAAH
SCHEMBL28869082 0.82 KDM4E (0.55) CA2CA9CASP2EPHX1MEN1
SCHEMBL20829940 0.81 CA2 (0.48) CA2CA9MEN1KMT2A
SCHEMBL21546112 0.80
SCHEMBL16345817 0.80 CA2 (0.43) CA2CA9CASP2MEN1KMT2A

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-7897631-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-01 US disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 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-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 CA2 3572/4885CA9 2293/4885MMP2 385/4885

“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.