SCHEMBL521952

SCHEMBL521952

Cc1noc(C=Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
MAPT P10636 10/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
LMNA P02545 2/20 0.49
PABPC1 P11940 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HTT P42858 1/20 0.49
APP P05067 2/20 0.46
FBP1 P09467 1/20 0.45
PTGS2 P35354 3/20 0.44

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
SCHEMBL521951 1.00 KMT2A (0.64) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL522622 0.87 KMT2A (0.63) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL522144 0.87 KMT2A (0.63) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL522621 0.87 KMT2A (0.63) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL522145 0.87 KMT2A (0.63) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL522318 0.87 KMT2A (0.74) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL522317 0.87 KMT2A (0.74) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL10033925 0.86 KMT2A (0.72) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL522664 0.85 KMT2A (0.60) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL522665 0.85 KMT2A (0.60) KMT2AMEN1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US claimed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP claimed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO claimed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 EP 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST KMT2A 1785/4885MEN1 3925/4885MAPT 4581/4885

“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.