SCHEMBL1026409

SCHEMBL1026409

O=C(O)Nc1cccc(NCCOc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
ALDH1A1 P00352 4/20 0.60
POLB P06746 2/20 0.52
MAPT P10636 6/20 0.50
LMNA P02545 4/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTT P42858 3/20 0.49
DDX3X O00571 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
NPC1 O15118 1/20 0.47

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
SCHEMBL1026407 1.00 MEN1 (0.60) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13623175 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1074173 0.82 CHRNB2 (0.52) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1027626 0.82 MEN1 (0.57) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1027628 0.82 MEN1 (0.57) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL541821 0.81 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1024957 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1024960 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1075413 0.81 F2 (0.44) ALDH1A1MAPTTHRBDDX3X
SCHEMBL3029851 0.80 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK MEN1 1321/4885KMT2A 382/4885ALDH1A1 2511/4885

“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.