SCHEMBL9970210

SCHEMBL9970210

COC(=O)CCCCN(Cc1ccccc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 0.57
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
GNMT Q14749 1/20 0.54
TRDMT1 O14717 7/20 0.52
RXFP1 Q9HBX9 1/20 0.51
P2RX1 P51575 1/20 0.49
P2RX3 P56373 1/20 0.49
P2RX4 Q99571 1/20 0.49
WDR5 P61964 1/20 0.48
KMT2A Q03164 1/20 0.48
RBBP5 Q15291 1/20 0.48
DPY30 Q9C005 1/20 0.48
ASH2L Q9UBL3 1/20 0.48

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
SCHEMBL9940379 0.85 RXFP1 (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16705108 0.84 PI4KA (0.55) NNMTPI4KAPI4K2BPI4K2API4KB
SCHEMBL19820156 0.84 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19818241 0.84 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9936960 0.83 DOT1L (0.63) NNMTPI4KAPI4K2BPI4K2API4KB
SCHEMBL9942773 0.82 DOT1L (0.63)
SCHEMBL9970349 0.82 DOT1L (0.63)
SCHEMBL15395715 0.82 DOT1L (0.63)
SCHEMBL15395645 0.81 DOT1L (0.59) NNMTPI4KAPI4K2BPI4K2API4KB
SCHEMBL9940848 0.81 NNMT (0.47) NNMTPI4KAPI4K2BPI4K2API4KB

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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT NNMT 6/4885PI4KA 1844/4885PI4K2B 1901/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT NNMT 6/4885PI4KA 1844/4885PI4K2B 1901/4885

“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.