SCHEMBL2354935

SCHEMBL2354935

CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 3/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6071319 0.84 L3MBTL1 (0.71) L3MBTL1HTTTP53ALDH1A1CYP3A4
SCHEMBL29073 0.79 L3MBTL1 (0.52) L3MBTL1HTTTP53ALDH1A1CYP3A4
SCHEMBL9044256 0.78 TDP1 (0.54) L3MBTL1HTTTP53ALDH1A1CYP3A4
SCHEMBL3071026 0.78 HTT (0.45) L3MBTL1HTTTP53ALDH1A1CYP3A4
Potassium Ion SCHEMBL3069051 0.78 HTT (0.45) L3MBTL1HTTTP53ALDH1A1CYP3A4
SCHEMBL14627750 0.77 NOS2 (0.48) HTTALDH1A1CYP3A4TSHRHPGD
SCHEMBL3056774 0.77 HTT (0.44) L3MBTL1HTTTP53ALDH1A1CYP3A4
SCHEMBL27884533 0.76 ALDH1A1 (0.57) L3MBTL1ALDH1A1TDP1TSHRKMT2A
SCHEMBL30894817 0.76 TDP1 (0.59) L3MBTL1HTTTP53ALDH1A1CYP3A4
SCHEMBL6241415 0.76 TDP1 (0.59) L3MBTL1HTTTP53ALDH1A1CYP3A4

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-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 US disclosed
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 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-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 L3MBTL1 3447/4885HTT 2121/4885TP53 723/4885
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D L3MBTL1 2908/4885HTT 4715/4885TP53 930/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 L3MBTL1 2970/4885HTT 4460/4885TP53 703/4885

“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.