SCHEMBL13623192

SCHEMBL13623192

CC(C)(C)OC(=O)Nc1cccc(CNCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
MAPT P10636 7/20 0.49
ALOX5 P09917 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 3/20 0.48
POLB P06746 2/20 0.48
DDX3X O00571 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
MAPK1 P28482 2/20 0.47
HSP90AA1 P07900 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
SCHEMBL13623066 0.90 MAPT (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1MMP1
SCHEMBL13623130 0.89 MAPT (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MMP1
SCHEMBL13623127 0.88 MMP1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MMP1
SCHEMBL31135773 0.87 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1SIRT2
SCHEMBL3222110 0.87 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1SIRT2
SCHEMBL13623153 0.86 TRPV1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1MMP1
SCHEMBL13623004 0.86 SENP5 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13623019 0.85 ALDH1A1 (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1MMP1
SCHEMBL13623193 0.85 MMP1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MMP1
SCHEMBL13622999 0.84 CYP19A1 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1MMP1

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 382/4885SMN1; SMN2 4274/4885

“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.