SCHEMBL3703542

SCHEMBL3703542

CCCC(=O)NOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.61
CTNNB1 P35222 1/20 0.61
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MGLL Q99685 2/20 0.51
ALDH1A1 P00352 8/20 0.50
POLB P06746 3/20 0.50
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYOC Q99972 1/20 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
SCHEMBL27894878 0.79 MAPT (0.55) BCL9CTNNB1MAPTMEN1KMT2A
SCHEMBL11530611 0.79 MAPT (0.51) BCL9CTNNB1MAPTMEN1KMT2A
SCHEMBL15878977 0.78 KMT2A (0.58) BCL9CTNNB1MAPTMEN1KMT2A
SCHEMBL8391401 0.77 BCL9 (0.72) BCL9CTNNB1MAPTMEN1KMT2A
SCHEMBL3857282 0.77 ALOX5 (0.51) MAPTHPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL2521071 0.77 TSHR (0.53) BCL9CTNNB1MAPTMEN1KMT2A
SCHEMBL1389308 0.77 KMT2A (0.51) BCL9CTNNB1MAPTMEN1KMT2A
SCHEMBL133257 0.76 BCL9 (1.00) BCL9CTNNB1MAPTMEN1KMT2A
SCHEMBL4378184 0.76 KMT2A (0.83) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL161868 0.75 BCL9 (0.74) BCL9CTNNB1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206761-A1 PROCESS FOR PREPARING HYDROXYLAMINES AND MEDICAMENTS CAMBREX KARLSKOGA AB (SE) 2014-07-24 US disclosed
US-20120122971-A1 NEW PROCESS FOR PREPARING HYDROXYLAMINES AND MEDICAMENTS CAMBREX KARLSKOGA AB (SE) 2012-05-17 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 (2 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-20140206761-A1 PROCESS FOR PREPARING HYDROXYLAMINES AND MEDICAMENTS CYP3A4, CYP1A2, CYP2D6 BCL9 4396/4885CTNNB1 2829/4885MAPT 4199/4885
US-20120122971-A1 NEW PROCESS FOR PREPARING HYDROXYLAMINES AND MEDICAMENTS CYP3A4, CYP1A2, CYP4B1 BCL9 4635/4885CTNNB1 2968/4885MAPT 4194/4885

“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.