SCHEMBL20420165

SCHEMBL20420165

COc1ccc([N+](=O)[O-])c(NCCOCCOCCN)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
LMNA P02545 4/20 0.58
TDP1 Q9NUW8 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALPG P10696 1/20 0.55
KAT2B Q92831 5/20 0.52
ALDH1A1 P00352 2/20 0.51
HTR6 P50406 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.48
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 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
SCHEMBL20420113 0.90 KAT2B (0.53) MAPTLMNATDP1SMN1; SMN2ALPG
SCHEMBL111539 0.87 KAT2B (0.59) MAPTLMNATDP1SMN1; SMN2ALPG
SCHEMBL29392855 0.87 KAT2B (0.59) MAPTLMNATDP1SMN1; SMN2ALPG
Hydrochloric Acid SCHEMBL141377 0.86 KAT2B (0.61) MAPTLMNATDP1SMN1; SMN2ALPG
SCHEMBL10576590 0.84 LMNA (0.68) MAPTLMNATDP1SMN1; SMN2ALPG
SCHEMBL20420227 0.82 MAPT (0.51) MAPTLMNASMN1; SMN2KAT2BALDH1A1
SCHEMBL739095 0.81 MAPT (0.64) MAPTLMNATDP1SMN1; SMN2ALPG
SCHEMBL17934172 0.80 SMN1; SMN2 (0.51) MAPTLMNATDP1SMN1; SMN2ALPG
SCHEMBL2220740 0.80 MAPT (0.59) MAPTLMNATDP1SMN1; SMN2ALPG
SCHEMBL22126304 0.80 HCAR3 (0.57) MAPTLMNAKAT2BALDH1A1

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-20200199174-A1 NOVEL FLUORESCENT LABELING METHOD THE UNIVERSITY OF TOKYO (JP) 2020-06-25 US disclosed
US-20200199174-A1 NOVEL FLUORESCENT LABELING METHOD THE UNIVERSITY OF TOKYO (JP) 2020-06-25 US disclosed
WO-2018135598-A1 NOVEL FLUORESCENT LABELING METHOD 国立大学法人 東京大学 2018-07-26 WO 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-20200199174-A1 NOVEL FLUORESCENT LABELING METHOD RPS27A, DNPEP, DNM1L MAPT 1510/4885LMNA 856/4885TDP1 3135/4885

“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.