SCHEMBL10073080

SCHEMBL10073080

COc1ccc(CCN(C)C(=O)c2cccnc2OC2CCCC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
KMT2A Q03164 4/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
PARP1 P09874 1/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CDK8 P49336 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL10073079 0.87 POLB (0.64) POLBKMT2ANPC1KDM4EMEN1
SCHEMBL10073084 0.84 POLB (0.76) POLBKMT2ANPC1KDM4EALDH1A1
SCHEMBL10073061 0.83 POLB (0.65) POLBKMT2ANPC1KDM4EMEN1
SCHEMBL10073082 0.82 POLB (0.58) POLBKMT2ANPC1KDM4EMEN1
SCHEMBL10073069 0.82 POLB (0.64) POLBKMT2ANPC1MEN1ALDH1A1
SCHEMBL10073068 0.82 LMNA (0.57) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL10073081 0.82 POLB (0.60) POLBKMT2ANPC1KDM4EMEN1
SCHEMBL10073119 0.82 POLB (0.57) POLBKMT2ANPC1KDM4EMEN1
SCHEMBL557635 0.81 POLB (0.59) POLBKMT2ANPC1KDM4EMEN1
SCHEMBL9266622 0.74 PDE4B (0.50) POLBKMT2AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 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 (3 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-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 POLB 1098/4885KMT2A 4175/4885NPC1 36/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 POLB 1098/4885KMT2A 4175/4885NPC1 36/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 POLB 1098/4885KMT2A 4175/4885NPC1 36/4885

“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.