SCHEMBL3364332

SCHEMBL3364332

O=C(OCCl)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 9/20 0.48
MAPT P10636 8/20 0.48
MEN1 O00255 8/20 0.48
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MCL1 Q07820 1/20 0.48
ALDH1A1 P00352 9/20 0.45
SRC P12931 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.41
MET P08581 1/20 0.41
F2 P00734 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL11697405 0.86 ALDH1A1 (0.56) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL9061393 0.82 MAPT (0.49) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL5666638 0.81 MAPT (0.53) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL28835926 0.81 MAPT (0.51) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL3361212 0.81 MAPT (0.48) RAB9ANPC1KMT2AMAPTMEN1
Methane SCHEMBL9392730 0.81 MAPT (0.48) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL6593403 0.79 MAPT (0.56) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1780918 0.78 ALDH1A1 (0.59) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1446429 0.77 MAPT (0.57) RAB9AKMT2AMAPTMEN1POLB
SCHEMBL3327817 0.76 MAPT (0.56) RAB9AKMT2AMAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835125-B2 Methods and compositions for selective labeling of different biotinylated targets within multicolor or multilabel assays AFFYMETRIX, INC. (US) 2014-09-16 US disclosed
US-20120226027-A1 Methods and Compositions for Selective Labeling of Different Biotinylated Targets within Multicolor or Multilabel Assays AFFYMETRIX, INC. (US) 2012-09-06 US disclosed
US-8247540-B2 Caged nucleotides and oligonucleotides and their application DEITERS ALEXANDER (US) 2012-08-21 US disclosed
US-20100099159-A1 CAGED NUCLEOTIDES AND OLIGONUCLEOTIDES AND THEIR APPLICATION DEITERS ALEXANDER 2010-04-22 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-20100099159-A1 CAGED NUCLEOTIDES AND OLIGONUCLEOTIDES AND THEIR APPLICATION RNGTT, NT5C3B, ADAR RAB9A 3257/4885NPC1 1018/4885KMT2A 3379/4885

“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.