SCHEMBL20110644

SCHEMBL20110644

Cc1cc([N+](=O)[O-])cc2cn[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
NOS1 P29475 3/20 0.53
POLB P06746 1/20 0.53
MAOB P27338 1/20 0.53
CYP3A4 P08684 3/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
APEX1 P27695 1/20 0.45
NOS3 P29474 1/20 0.45
CYP2C19 P33261 1/20 0.45
NOS2 P35228 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL11576616 0.81 MAPT (0.58) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL1456660 0.80 NOS1 (0.53) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL760017 0.80 MAPT (0.53) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL3516952 0.80 MAPT (0.53) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL27949142 0.75 MAPT (0.44) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL1456967 0.74 MAPT (0.50) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL2144703 0.73 NOS1 (0.53) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL3012819 0.73 MAPT (0.57) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL5771889 0.72 TRPA1 (0.50) MAPTNOS1CYP1A2KMT2AHSD17B10
SCHEMBL7545485 0.72 NOS1 (0.51) MAPTNOS1POLBMAOBCYP3A4

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
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 CN disclosed
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A MAPT 2655/4885NOS1 530/4885POLB 1426/4885

“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.