SCHEMBL10073056

SCHEMBL10073056

COc1ccc(CCNC(=O)c2cccnc2Oc2ccc(C)cc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
LMNA P02545 3/20 0.58
PDE10A Q9Y233 2/20 0.58
MAPK8 P45983 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.55

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
SCHEMBL10073121 0.92 MAPK8 (0.64) GAALMNAPDE10AMAPK8ALDH1A1
SCHEMBL10073062 0.88 LMNA (0.67) GAALMNAKMT2AMAPTPKM
SCHEMBL10073074 0.85 LMNA (0.67) LMNAKMT2AALDH1A1MAPTPKM
SCHEMBL10073070 0.85 LMNA (0.80) GAALMNAKMT2AMAPTPKM
SCHEMBL10073065 0.84 LMNA (0.69) GAALMNAKMT2AALDH1A1MAPT
SCHEMBL10073063 0.83 LMNA (0.61) GAALMNAKMT2AALDH1A1MAPT
SCHEMBL10073071 0.82 LMNA (0.63) GAALMNAKMT2AALDH1A1MAPT
SCHEMBL10073057 0.82 LMNA (0.56) GAALMNAKMT2AALDH1A1MAPT
SCHEMBL10073067 0.81 LMNA (0.62) GAALMNAKMT2AALDH1A1MAPT
SCHEMBL10073068 0.80 LMNA (0.57) GAALMNAKMT2AALDH1A1MAPT

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-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-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 GAA 397/4885LMNA 1873/4885PDE10A 1405/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 GAA 397/4885LMNA 1873/4885PDE10A 1405/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 GAA 397/4885LMNA 1873/4885PDE10A 1405/4885

“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.