SCHEMBL13633154

SCHEMBL13633154

COc1ccc([N+](=O)[O-])cc1-c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPK1 P28482 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.48
SETD7 Q8WTS6 1/20 0.47
GNRHR P30968 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
LCLAT1 Q6UWP7 1/20 0.46
BLM P54132 1/20 0.46
PKM P14618 1/20 0.46
SIRT2 Q8IXJ6 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
SCHEMBL13633114 0.86 MEN1 (0.46) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL31135773 0.81 SMN1; SMN2 (0.64) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL3222110 0.81 SMN1; SMN2 (0.64) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL13622531 0.81 MEN1 (0.47) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL13622532 0.80 GNRHR (0.55) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL4324319 0.80 MEN1 (0.42) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL13670029 0.79 MAPT (0.51) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL6349776 0.78 MEN1 (0.63) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL3786712 0.78 PDE4D (0.41) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL13669774 0.77 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT

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 MAPT 3239/4885MEN1 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.