SCHEMBL13633114

SCHEMBL13633114

COC(=O)c1ccc([N+](=O)[O-])cc1-c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
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
SIRT2 Q8IXJ6 1/20 0.45
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX5 P09917 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
CYP17A1 P05093 1/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
SLC6A4 P31645 1/20 0.43
NR3C2 P08235 1/20 0.42

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
SCHEMBL13633154 0.86 MAPT (0.49) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL31135773 0.81 SMN1; SMN2 (0.64) MEN1KMT2ASIRT2MAPTSMN1; SMN2
SCHEMBL3222110 0.81 SMN1; SMN2 (0.64) MEN1KMT2ASIRT2MAPTSMN1; SMN2
SCHEMBL1025393 0.80 MEN1 (0.43) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL13633171 0.80 MEN1 (0.52) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL7594732 0.79 SMN1; SMN2 (0.54) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL13670029 0.79 MAPT (0.51) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL5935194 0.78 PTGDR2 (0.54) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL30338973 0.78 PTGDR2 (0.54) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL5091273 0.78 ALDH1A1 (0.48) MEN1KMT2AMAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 (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 382/4885MMP1 3919/4885

“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.