SCHEMBL13875745

SCHEMBL13875745

CCNc1cc(NC)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
HCAR3 P49019 2/20 0.53
MAPT P10636 9/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.42
PGK1 P00558 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL13206384 0.93 LMNA (0.61) LMNAHCAR3MAPTL3MBTL1MAPK1
SCHEMBL10981845 0.87 HCAR3 (0.55) LMNAHCAR3MAPTMAPK1BCHE
SCHEMBL9796711 0.81 HCAR3 (0.56) LMNAHCAR3MAPTL3MBTL1MAPK1
SCHEMBL13206385 0.81 MAPT (0.51) LMNAHCAR3MAPTL3MBTL1MAPK1
SCHEMBL428455 0.79 HCAR3 (0.53) LMNAHCAR3MAPTL3MBTL1MAPK1
SCHEMBL16406347 0.79 PGK1 (0.53) LMNAHCAR3MAPTL3MBTL1MAPK1
SCHEMBL3449782 0.76 LMNA (0.51) LMNAHCAR3MAPTL3MBTL1MAPK1
SCHEMBL13401684 0.75 HCAR3 (0.64) LMNAHCAR3MAPTL3MBTL1MAPK1
SCHEMBL23418074 0.74 HCAR3 (0.47) LMNAHCAR3MAPTBCHEACHE
SCHEMBL25682292 0.74 HCAR3 (0.47) LMNAHCAR3MAPTALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115232-A1 TARGETING AGENT ANTIBODY CONJUGATES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-04-28 US disclosed
US-20090088484-A1 NITRIC OXIDE (NO)-RELEASING POLYMERS AND COMPOUNDS AND USES THEREOF CENTRAL MICHIGAN UNIVERSITY 2009-04-02 US disclosed
US-20080260797-A1 METHODS OF TREATING DISEASE WITH NITRIC OXIDE (NO)-RELEASING POLYMERS AND SOLUBLE NO-RELEASING NITROSAMINES CENTRAL MICHIGAN UNIVERSITY 2008-10-23 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 (3 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-20090088484-A1 NITRIC OXIDE (NO)-RELEASING POLYMERS AND COMPOUNDS AND USES THEREOF NOS2, NOS3, NOS1 LMNA 2914/4885HCAR3 201/4885MAPT 2614/4885
US-20160115232-A1 TARGETING AGENT ANTIBODY CONJUGATES AND USES THEREOF FCGR2A, CD22, FCGR3B LMNA 4746/4885HCAR3 259/4885MAPT 1854/4885
US-20080260797-A1 METHODS OF TREATING DISEASE WITH NITRIC OXIDE (NO)-RELEASING POLYMERS AND SOLUBLE NO-RELEASING NITROSAMINES NOS2, NOS1, NOS3 LMNA 2252/4885HCAR3 280/4885MAPT 3916/4885

“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.