SCHEMBL5543207

SCHEMBL5543207

COC(=O)c1cn(P)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.69
KMT2A Q03164 11/20 0.65
MEN1 O00255 3/20 0.65
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
THRB P10828 1/20 0.60
GAA P10253 1/20 0.60
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.55
BRD4 O60885 1/20 0.54
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53

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
SCHEMBL13936213 0.83 NR4A2 (0.69) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL1092934 0.81 NR4A2 (1.00) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL31621504 0.81 NR4A2 (1.00) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL15558170 0.80 NR4A2 (0.69) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL27873322 0.80 NR4A2 (0.69) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL1849453 0.80 NR4A2 (0.69) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13209353 0.78 NR4A2 (0.65) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL1855462 0.78 NR4A2 (1.00) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2434968 0.78 NR4A2 (0.65) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL15780214 0.78 NR4A2 (0.65) NR4A2KMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 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 (2 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 NR4A2 3282/4885KMT2A 2480/4885MEN1 191/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 NR4A2 3282/4885KMT2A 2480/4885MEN1 191/4885

“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.