SCHEMBL3116607

SCHEMBL3116607

O=C(Nc1ccc2c(c1)OCO2)Nc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 3/20 0.51
NPC1 O15118 9/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 5/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CNR1 P21554 1/20 0.45
MTOR P42345 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3117380 0.86 LMNA (0.47) POLBNPC1LMNATP53MAPK1
SCHEMBL3108508 0.86 EPHX2 (0.50) EPHX2KMT2AMEN1USP2KDM4E
SCHEMBL3106397 0.86 MEN1 (0.54) EPHX2KMT2AMEN1LMNAKDM4E
SCHEMBL16844671 0.85 MAPK14 (0.53) EPHX2SMN1; SMN2KDM4EMTORGAA
SCHEMBL3115939 0.84 HPGD (0.54) EPHX2POLBMAPK1MTORBRAF
SCHEMBL3111922 0.83 AKT1 (0.52) EPHX2MAPT
SCHEMBL3117525 0.81 EPHX2 (0.63) EPHX2KMT2ALMNABRAFMAPK14
SCHEMBL430177 0.75 RECQL (0.51) NPC1SMN1; SMN2KDM4EMAPTGAA
SCHEMBL4255079 0.74 EPHX2 (1.00) EPHX2
SCHEMBL2073676 0.73 SYK (0.64) POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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 (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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG EPHX2 481/4885KMT2A 3672/4885MEN1 4303/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG EPHX2 481/4885KMT2A 3672/4885MEN1 4303/4885

“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.