SCHEMBL13633219

SCHEMBL13633219

Nc1cccc(NC(=O)c2cccc(N=O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.60
DDX3X O00571 1/20 0.54
ALDH1A1 P00352 3/20 0.51
CNR1 P21554 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KCNK3 O14649 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
MAPT P10636 1/20 0.50
ULK1 O75385 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
KCNH2 Q12809 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BTK Q06187 2/20 0.47
KDM4C Q9H3R0 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
SCHEMBL29568967 0.86 PTGS1 (0.72) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL308208 0.86 PTGS1 (0.72) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL8403932 0.86 PTGS1 (0.72) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL31171978 0.86 PTGS1 (0.72) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL28136378 0.84 HDAC1 (0.63) SMN1; SMN2MEN1KMT2AKCNK3KCNK9
Hydrochloric Acid SCHEMBL11740733 0.84 PTGS1 (0.70) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL2126328 0.82 PTGS1 (0.68) PTGS1DDX3XALDH1A1SMN1; SMN2MEN1
SCHEMBL394748 0.81 KCNK3 (0.76) PTGS1DDX3XALDH1A1SMN1; SMN2MEN1
SCHEMBL29568808 0.81 PTGS1 (0.79) PTGS1DDX3XALDH1A1SMN1; SMN2MEN1
SCHEMBL8399784 0.81 PTGS1 (0.79) PTGS1DDX3XALDH1A1SMN1; SMN2MEN1

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 PTGS1 1501/4885DDX3X 3846/4885ALDH1A1 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.