SCHEMBL20420265

SCHEMBL20420265

N#Cc1ccc([N+](=O)[O-])c(NCCOCCOCCN)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 4/20 0.57
▸ MAPT P10636 8/20 0.43
▸ LMNA P02545 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ VCAM1 P19320 1/20 0.41
▸ HTR6 P50406 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL20419963 0.91 KAT2B (0.70) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL29737974 0.83 LMNA (0.63) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL20571599 0.83 LMNA (0.63) KAT2BMAPTLMNAPKMRAB9A
Hydrochloric Acid SCHEMBL515537 0.83 KAT2B (0.81) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL20420165 0.80 MAPT (0.58) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL20419976 0.79 KAT2B (0.60) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL22126304 0.79 HCAR3 (0.57) KAT2BMAPTLMNAALDH1A1
SCHEMBL20420121 0.79 MAPT (0.53) KAT2BMAPTLMNARAB9ASMN1; SMN2
SCHEMBL7371227 0.78 RAB9A (0.61) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL740421 0.78 KAT2B (0.56) KAT2BMAPTLMNAPKMRAB9A

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 KAT2B 2802/4885MAPT 1510/4885LMNA 856/4885

“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.

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