SCHEMBL4733272

SCHEMBL4733272

CC(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.73
MEN1 O00255 7/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
NPC1 O15118 3/20 0.73
RAB9A P51151 2/20 0.73
MAPT P10636 5/20 0.64
HTT P42858 3/20 0.64
DDX3X O00571 2/20 0.64
POLB P06746 1/20 0.64
CTDSP1 Q9GZU7 1/20 0.64
BAZ1A Q9NRL2 3/20 0.60
GAA P10253 2/20 0.60
CYP1A2 P05177 1/20 0.60
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA5A P35218 1/20 0.55

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
SCHEMBL4728274 0.85 KMT2A (0.66) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL1248559 0.80 SMN1; SMN2 (1.00) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL1047211 0.80 MEN1 (1.00) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL17084065 0.79 MEN1 (0.96) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3180203 0.77 KMT2A (1.00) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3936114 0.77 CYP1A2 (0.61) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL22092547 0.77 MEN1 (0.79) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL22092552 0.77 MEN1 (0.79) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL29494985 0.77 MEN1 (0.79) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7367594 0.76 RAB9A (0.61) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 KMT2A 811/4885MEN1 1165/4885SMN1; SMN2 3336/4885

“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.