SCHEMBL13801459

SCHEMBL13801459

CCOC(=O)n1nc(Nc2nc(OCCc3ccc(CO)c(OC)c3)nc(N3CCOCC3)n2)cc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALOX15 P16050 2/20 0.38
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 2/20 0.36
GAA P10253 2/20 0.36
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL423448 0.94 KMT2A (0.45) KMT2AMEN1ALOX15MAPTPOLB
SCHEMBL428582 0.82 KMT2A (0.49) KMT2AMEN1ALOX15MAPTPOLB
SCHEMBL13801454 0.75 MEN1 (0.51) KMT2AMEN1ALOX15MAPTUSP2
SCHEMBL13801455 0.74 MEN1 (0.43) KMT2AMEN1ALOX15MAPTUSP2
SCHEMBL13801460 0.73 MEN1 (0.46) KMT2AMEN1ALOX15MAPTUSP2
SCHEMBL13801457 0.72 MEN1 (0.46) KMT2AMEN1ALOX15MAPTUSP2
SCHEMBL13759145 0.69 SMN1; SMN2 (0.34) KMT2AALOX15MAPTPOLBUSP2
SCHEMBL425015 0.69 MEN1 (0.46) KMT2AMEN1ALOX15MAPTPOLB
SCHEMBL425014 0.69 MEN1 (0.46) KMT2AMEN1ALOX15MAPTPOLB
SCHEMBL13801461 0.68 MAPT (0.56) KMT2AMEN1ALOX15MAPTPOLB

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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 KMT2A 1939/4885MEN1 293/4885ALOX15 351/4885

“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.