SCHEMBL557643

SCHEMBL557643

COc1ccc(C(C)(C)CNC(=O)c2cc3ccccc3o2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
NAMPT P43490 1/20 0.65
RAB9A P51151 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
OPRM1 P35372 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 6/20 0.53
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 5/20 0.53
TSHR P16473 5/20 0.53
ALDH1A1 P00352 5/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TP53 P04637 5/20 0.50
MAPT P10636 2/20 0.50
HKDC1 Q2TB90 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL10073043 0.79 NAMPT (1.00) L3MBTL1NAMPTRAB9AMEN1KMT2A
SCHEMBL10842922 0.77 TP53 (0.63) L3MBTL1RAB9AMEN1KMT2AOPRM1
SCHEMBL10847344 0.77 ALDH1A1 (0.45) L3MBTL1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL9690588 0.75 SMN1; SMN2 (0.63) L3MBTL1NAMPTRAB9AMEN1KMT2A
SCHEMBL558577 0.73 L3MBTL1 (0.62) L3MBTL1NAMPTRAB9AMEN1KMT2A
SCHEMBL558061 0.72 L3MBTL1 (0.61) L3MBTL1NAMPTRAB9AMEN1KMT2A
SCHEMBL10073053 0.72 L3MBTL1 (0.60) L3MBTL1NAMPTRAB9AMEN1KMT2A
SCHEMBL8401808 0.71 TP53 (0.70) L3MBTL1RAB9AMEN1KMT2ANPC1
SCHEMBL4917286 0.71 TP53 (0.67) L3MBTL1NAMPTRAB9AMEN1KMT2A
SCHEMBL8292253 0.70 TP53 (0.68) L3MBTL1NAMPTRAB9AMEN1KMT2A

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 14 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-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-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
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
EP-1680411-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CONTAINING CYCLOALKYL OR PYRANYL GROUPS Vertex Pharmaceuticals Incorporated (US) 2006-07-19 EP disclosed
US-20050148648-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005035514-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CONTAINING CYCLOALKYL OR PYRANYL GROUPS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-21 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 (4 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-20050148648-A1 Modulators of ATP-binding cassette transporters ABCB11, ABCB1, ABCC5 L3MBTL1 4414/4885NAMPT 708/4885RAB9A 672/4885
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 L3MBTL1 4414/4885NAMPT 708/4885RAB9A 672/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 L3MBTL1 4414/4885NAMPT 708/4885RAB9A 672/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 L3MBTL1 4414/4885NAMPT 708/4885RAB9A 672/4885

“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.