SCHEMBL10073045

SCHEMBL10073045

O=C(NCC1(c2ccccc2)CCCC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
MAPK1 P28482 2/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 1/20 0.52

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
SCHEMBL10073040 0.83 ALDH1A1 (0.56) LMNASMN1; SMN2L3MBTL1NPSR1MAPK1
SCHEMBL558753 0.82 ALDH1A1 (0.68) LMNAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL8974878 0.79 CNR1 (0.56) LMNASMN1; SMN2L3MBTL1NPSR1MAPK1
SCHEMBL3984004 0.78 LMNA (0.69) LMNASMN1; SMN2L3MBTL1NPSR1MAPK1
SCHEMBL9640407 0.77 LMNA (0.68) LMNASMN1; SMN2L3MBTL1NPSR1MAPK1
SCHEMBL3373766 0.77 LMNA (0.68) LMNASMN1; SMN2L3MBTL1NPSR1MAPK1
SCHEMBL10083664 0.77 LMNA (1.00) LMNASMN1; SMN2L3MBTL1NPSR1MAPK1
SCHEMBL3455488 0.77 SMN1; SMN2 (0.65) LMNASMN1; SMN2L3MBTL1NPSR1MAPK1
SCHEMBL3460771 0.76 SMN1; SMN2 (0.95) LMNASMN1; SMN2L3MBTL1NPSR1MAPK1
SCHEMBL300331 0.76 CNR1 (0.72) LMNASMN1; SMN2L3MBTL1NPSR1MAPK1

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 LMNA 1873/4885SMN1; SMN2 3617/4885L3MBTL1 4414/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 LMNA 1873/4885SMN1; SMN2 3617/4885L3MBTL1 4414/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 LMNA 1873/4885SMN1; SMN2 3617/4885L3MBTL1 4414/4885

“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.