SCHEMBL10073053

SCHEMBL10073053

COc1ccc(C2(CNC(=O)c3cc4ccccc4o3)CCOCC2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
KMT2A Q03164 3/20 0.59
NAMPT P43490 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 2/20 0.54
RAB9A P51151 1/20 0.54
P2RX7 Q99572 1/20 0.53
ALDH1A1 P00352 3/20 0.52
OPRM1 P35372 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51
KCNA3 P22001 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
SCHEMBL558577 0.92 L3MBTL1 (0.62) L3MBTL1KMT2ANAMPTHTTTDP1
SCHEMBL558061 0.91 L3MBTL1 (0.61) L3MBTL1KMT2ANAMPTHTTTDP1
SCHEMBL3318936 0.85 L3MBTL1 (0.54) L3MBTL1KMT2ANAMPTHTTTDP1
SCHEMBL557974 0.85 L3MBTL1 (0.54) L3MBTL1KMT2ANAMPTHTTTDP1
SCHEMBL558112 0.82 L3MBTL1 (0.61) L3MBTL1KMT2ANAMPTMEN1RAB9A
SCHEMBL10073111 0.81 KMT2A (0.67) KMT2AHTTTDP1MEN1ALDH1A1
SCHEMBL557994 0.80 KMT2A (0.66) KMT2AHTTTDP1MEN1ALDH1A1
SCHEMBL10073106 0.80 CASP1 (0.58) L3MBTL1KMT2AHTTTDP1MEN1
SCHEMBL3317220 0.79 CASP1 (0.57) L3MBTL1KMT2AHTTTDP1MEN1
SCHEMBL558404 0.79 CASP1 (0.57) L3MBTL1KMT2AHTTTDP1MEN1

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 L3MBTL1 4414/4885KMT2A 4175/4885NAMPT 708/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 L3MBTL1 4414/4885KMT2A 4175/4885NAMPT 708/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 L3MBTL1 4414/4885KMT2A 4175/4885NAMPT 708/4885

“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.