SCHEMBL423448

SCHEMBL423448

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
POLB P06746 2/20 0.40
PDE4B Q07343 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
TP53 P04637 3/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL13801459 0.94 KMT2A (0.39) KMT2AMEN1ALOX15MAPTSMN1; SMN2
SCHEMBL428582 0.88 KMT2A (0.49) KMT2AMEN1ALOX15MAPTSMN1; SMN2
SCHEMBL425015 0.75 MEN1 (0.46) KMT2AMEN1ALOX15MAPTSMN1; SMN2
SCHEMBL425014 0.75 MEN1 (0.46) KMT2AMEN1ALOX15MAPTSMN1; SMN2
SCHEMBL12772251 0.73 MEN1 (0.55) KMT2AMEN1ALOX15MAPTSMN1; SMN2
SCHEMBL10197074 0.72 MEN1 (0.52) KMT2AMEN1ALOX15MAPTSMN1; SMN2
SCHEMBL14529957 0.71 KMT2A (0.48) KMT2AMEN1ALOX15MAPTSMN1; SMN2
SCHEMBL13758952 0.71 KMT2A (0.48) KMT2AMEN1ALOX15MAPTSMN1; SMN2
SCHEMBL425231 0.71 MEN1 (0.51) KMT2AMEN1ALOX15MAPTSMN1; SMN2
SCHEMBL3323198 0.70 MEN1 (0.52) KMT2AMEN1ALOX15MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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 (4 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 KMT2A 4300/4885MEN1 4796/4885ALOX15 127/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 KMT2A 1509/4885MEN1 3751/4885ALOX15 1675/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 KMT2A 1939/4885MEN1 293/4885ALOX15 351/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 KMT2A 1509/4885MEN1 3751/4885ALOX15 1675/4885

“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.