SCHEMBL10073037

SCHEMBL10073037

COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1OC

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.84
KMT2A Q03164 5/20 0.84
L3MBTL1 Q9Y468 3/20 0.79
ALDH1A1 P00352 5/20 0.71
LMNA P02545 4/20 0.66
G6PD P11413 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 1/20 0.62
MAPK1 P28482 1/20 0.62
GAA P10253 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TSHR P16473 1/20 0.61
CASP1 P29466 1/20 0.61
HTT P42858 1/20 0.61
KCNA3 P22001 1/20 0.58

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
SCHEMBL10073048 0.90 LMNA (0.77) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL2291345 0.89 MEN1 (0.71) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL10073032 0.88 ALDH1A1 (0.72) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL9427696 0.86 ALDH1A1 (0.69) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL558502 0.85 ALDH1A1 (0.70) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL3455503 0.81 MEN1 (1.00) MEN1KMT2AL3MBTL1ALDH1A1KCNA3
SCHEMBL10073044 0.81 CASP1 (0.69) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL2814801 0.81 KMT2A (0.62) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL2817053 0.81 TSHR (0.71) MEN1KMT2AL3MBTL1LMNAG6PD
SCHEMBL3904049 0.81 MEN1 (0.97) MEN1KMT2AL3MBTL1ALDH1A1KCNA3

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 MEN1 4405/4885KMT2A 4175/4885L3MBTL1 4414/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 MEN1 4405/4885KMT2A 4175/4885L3MBTL1 4414/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 MEN1 4405/4885KMT2A 4175/4885L3MBTL1 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.