SCHEMBL10073069

SCHEMBL10073069

CCCCOc1ncccc1C(=O)N(C)CCc1ccc(OC)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CDK8 P49336 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 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
SCHEMBL10073061 0.95 POLB (0.65) POLBKMT2ALMNANPC1ALDH1A1
SCHEMBL10073084 0.92 POLB (0.76) POLBKMT2ALMNANPC1ALDH1A1
SCHEMBL10073079 0.91 POLB (0.64) POLBKMT2ALMNANPC1ALDH1A1
SCHEMBL557635 0.88 POLB (0.59) POLBKMT2ALMNANPC1ALDH1A1
SCHEMBL10073081 0.87 POLB (0.60) POLBKMT2ALMNANPC1ALDH1A1
SCHEMBL10073082 0.86 POLB (0.58) POLBKMT2ALMNANPC1ALDH1A1
SCHEMBL10073119 0.85 POLB (0.57) POLBKMT2ALMNANPC1ALDH1A1
SCHEMBL10073080 0.82 POLB (0.55) POLBKMT2ALMNANPC1ALDH1A1
SCHEMBL10073074 0.80 LMNA (0.67) KMT2ALMNANPC1ALDH1A1MEN1
SCHEMBL10073065 0.75 LMNA (0.69) KMT2ALMNANPC1ALDH1A1MEN1

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 7 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-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 4175/4885LMNA 1873/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 POLB 1098/4885KMT2A 4175/4885LMNA 1873/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 POLB 1098/4885KMT2A 4175/4885LMNA 1873/4885

“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.