SCHEMBL13623296

SCHEMBL13623296

CC(C)(C)OC(=O)Nc1cc([N+](=O)[O-])cc(I)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1B1 P15121 1/20 0.41
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL3010106 0.83 HTT (0.52) HTTKMT2AMAPTSMN1; SMN2ALOX5
SCHEMBL1028879 0.79 KMT2A (0.62) HTTMEN1KMT2ALMNAMAPT
SCHEMBL1028878 0.79 KMT2A (0.62) HTTMEN1KMT2ALMNAMAPT
SCHEMBL655856 0.78 MEN1 (0.56) HTTMEN1KMT2ALMNAMAPT
SCHEMBL31305166 0.76 PDK1 (0.43) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7147497 0.76 KCNMA1 (0.41) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4203555 0.76 NPC1 (0.41) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10305757 0.76 SIRT2 (0.47) HTTMEN1KMT2ALMNAMAPT
SCHEMBL14691594 0.76 HPGD (0.61) HTTMEN1KMT2ALMNAMAPT
SCHEMBL10033297 0.76 HTT (0.50) HTTMEN1KMT2AMAPTSMN1; SMN2

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 HTT 2476/4885MEN1 1321/4885KMT2A 382/4885

“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.