SCHEMBL4759834

SCHEMBL4759834

Cn1cc(C(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
POLB P06746 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
MITF O75030 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.51
ALOX12 P18054 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NR4A2 P43354 1/20 0.50
HTT P42858 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
SCHEMBL3242026 0.80 ALDH1A1 (0.58) LMNAPOLBALDH1A1KMT2AMITF
SCHEMBL1558956 0.78 POLB (0.68) LMNAPOLBALDH1A1KMT2AMITF
SCHEMBL13896419 0.77 ALDH1A1 (0.63) LMNAPOLBALDH1A1KMT2AMITF
SCHEMBL15902449 0.76 LMNA (1.00) LMNAPOLBALDH1A1KMT2AMITF
SCHEMBL14828742 0.75 ALDH1A1 (0.63) LMNAPOLBALDH1A1KMT2AMITF
SCHEMBL29965768 0.74 POLB (0.72) LMNAPOLBALDH1A1KMT2AMITF
SCHEMBL535878 0.74 POLB (0.72) LMNAPOLBALDH1A1KMT2AMITF
SCHEMBL14665132 0.74 ALDH1A1 (0.60) LMNAPOLBALDH1A1KMT2AMITF
SCHEMBL4760649 0.74 ALDH1A1 (0.59) LMNAPOLBALDH1A1KMT2AMITF
SCHEMBL27399863 0.74 LMNA (0.54) LMNAPOLBHDAC1HDAC6ALDH1A1

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-8853254-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-8853254-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-8853254-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-20130184276-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184276-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184276-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8314256-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-8314256-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
CN-101312722-A Modulators of atp-binding cassette transporters VERTEX PHARMA (US) 2008-11-26 CN disclosed
EP-1933831-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
US-20070238775-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US disclosed
US-20070238775-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US disclosed
WO-2007044560-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-19 WO disclosed
WO-2007044560-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-19 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 (2 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-20070238775-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 LMNA 3024/4885POLB 1617/4885HDAC1 2659/4885
US-20130184276-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3024/4885POLB 1617/4885HDAC1 2659/4885

“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.