SCHEMBL1815772

SCHEMBL1815772

COC(=O)N(Cl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 6/20 0.45
HTT P42858 3/20 0.45
DDX3X O00571 1/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPK1 P28482 4/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NLRP1 Q9C000 1/20 0.45

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
SCHEMBL1820229 0.85 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TSHRLMNAMEN1
SCHEMBL3159374 0.83 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRLMNAMEN1
SCHEMBL2312487 0.82 MEN1 (0.48) SMN1; SMN2ALDH1A1TSHRLMNAMEN1
SCHEMBL2311749 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TSHRLMNAMEN1
SCHEMBL10099722 0.82 L3MBTL1 (0.38) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL1820379 0.81 MEN1 (0.47) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL28025970 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TSHRLMNAMEN1
SCHEMBL4014610 0.80 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TSHRLMNAMEN1
SCHEMBL6824854 0.79 TP53 (0.50) SMN1; SMN2ALDH1A1TSHRLMNAMEN1
SCHEMBL29053510 0.77 MEN1 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD SMN1; SMN2 4069/4885ALDH1A1 4190/4885TSHR 2757/4885

“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.