SCHEMBL20089093

SCHEMBL20089093

Nc1cc(N2CCCCC2)ncc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
MAPT P10636 9/20 0.54
LMNA P02545 3/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 4/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL12489315 0.98 LMNA (0.55) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL15543926 0.85 MAPT (0.71) ALDH1A1MAPTNPSR1KMT2AHTT
SCHEMBL23612067 0.83 MAPT (0.47) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL30021064 0.83 MAPT (0.47) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL31167860 0.82 ALDH1A1 (0.54) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL31167872 0.82 ALDH1A1 (0.54) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL3665818 0.80 MAPT (0.76) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL31167758 0.78 ALDH1A1 (0.57) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL26089817 0.78 MAPT (0.52) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL15012807 0.78 ALDH1A1 (0.52) ALDH1A1MAPTLMNAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2018-04-26 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-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF PARP1, PARP8, PARP11 ALDH1A1 316/4885MAPT 2546/4885LMNA 634/4885

“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.