SCHEMBL20009458

SCHEMBL20009458

CCCCCNC(=O)CCCN=[N+]=[N-]

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.58
NAAA Q02083 1/20 0.54
FAAH O00519 4/20 0.51
DNM1 Q05193 2/20 0.49
EPHX2 P34913 3/20 0.48
SLC6A5 Q9Y345 2/20 0.47
CNR1 P21554 2/20 0.46
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LPAR1 Q92633 1/20 0.44

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
SCHEMBL21787020 0.95 CASP2 (0.50) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL17122488 0.92 CASP2 (0.56) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL16369373 0.92 FAAH (0.58) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL16328587 0.90 CASP2 (0.62) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL13655533 0.87 FAAH (0.57) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL13655575 0.87 FAAH (0.57) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL13655544 0.87 FAAH (0.57) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL13655546 0.87 FAAH (0.57) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL19560634 0.86 CASP2 (0.56) CASP2NAAAFAAHDNM1CNR1
SCHEMBL18089125 0.85 FAAH (0.46) CASP2NAAAFAAHDNM1EPHX2

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-20200188524-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION UNIVERSITY OF WASHINGTON 2020-06-18 US disclosed
WO-2018057941-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION UNIVERSITY OF WASHINGTON (US) 2018-03-29 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-20200188524-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION LIG4, LIG1, PCNA CASP2 123/4885NAAA 241/4885FAAH 2909/4885

“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.