SCHEMBL20420152

SCHEMBL20420152

NCCOCCOCCNc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 6/20 0.49
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 1/20 0.46
HCAR3 P49019 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PRSS1 P07477 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PTGER4 P35408 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL23705193 0.86 KMT2A (0.55) KAT2BMAPTSMN1; SMN2KMT2AHCAR3
SCHEMBL28845231 0.86 KMT2A (0.55) KAT2BMAPTSMN1; SMN2KMT2AHCAR3
SCHEMBL21113593 0.86 KMT2A (0.55) KAT2BMAPTSMN1; SMN2KMT2AHCAR3
SCHEMBL20420223 0.85 KAT2B (0.70) KAT2BMAPTSMN1; SMN2KMT2AHCAR3
SCHEMBL20419961 0.85 ALDH1A1 (0.57) KAT2BMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL20797515 0.84 KMT2A (0.53) KAT2BMAPTSMN1; SMN2KMT2AHCAR3
SCHEMBL21751587 0.82 MAPT (0.62) KAT2BMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL21751550 0.82 MAPT (0.62) KAT2BMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL21751639 0.82 MAPT (0.62) KAT2BMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL20420113 0.82 KAT2B (0.53) KAT2BMAPTSMN1; SMN2KMT2AHCAR3

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 1510/4885SMN1; SMN2 3697/4885

“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.