SCHEMBL13623175

SCHEMBL13623175

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.49
MAPT P10636 5/20 0.48
LMNA P02545 2/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALOX5 P09917 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 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
SCHEMBL1026407 0.85 MEN1 (0.60) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1026409 0.85 MEN1 (0.60) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13623109 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL5418888 0.84 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL29379386 0.84 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13623174 0.83 ITK (0.47) ALDH1A1MAPTSMN1; SMN2
SCHEMBL12518632 0.83 CA12 (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3222110 0.82 SMN1; SMN2 (0.64) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL31135773 0.82 SMN1; SMN2 (0.64) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13623066 0.81 MAPT (0.50) MEN1KMT2AALDH1A1MAPTSIRT2

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
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US 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.