SCHEMBL2162183

SCHEMBL2162183

CNc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.49
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
LMNA P02545 5/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 2/20 0.49
HCRTR1 O43613 1/20 0.49
HTT P42858 2/20 0.48
RECQL P46063 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 2/20 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
SCHEMBL2163250 0.84 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL24368238 0.83 ADORA2A (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2161813 0.81 RIPK1 (0.53) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8370164 0.81 MAPT (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2161579 0.80 RIPK1 (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL14656404 0.79 MAPT (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2161477 0.78 RIPK1 (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6027062 0.78 SCN2A (0.65) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL20500982 0.76 MASP2 (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2163044 0.76 CCNB2 (0.44) MEN1KMT2AMAPK1POLBSCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513064-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS UNIV LEUVEN KATH (BE) 2018-07-04 EP claimed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US claimed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US claimed
EP-2513064-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-10-24 EP claimed
WO-2011080132-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-07-07 WO claimed

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-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS AZI2, NOD1, AADAC MAPT 2222/4885ALDH1A1 373/4885MEN1 3463/4885

“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.