SCHEMBL1422554

SCHEMBL1422554

N#Cc1ccc(-c2nc(-c3cccnc3)no2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.76
CHRNA5 P30532 4/20 0.76
CHRNA4 P43681 4/20 0.76
SMN1; SMN2 Q16637 6/20 0.71
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
TP53 P04637 5/20 0.71
MAPT P10636 4/20 0.71
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 1/20 0.71
HPGD P15428 1/20 0.71
HSD17B10 Q99714 1/20 0.71
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
CYP11B2 P19099 1/20 0.62
CA9 Q16790 2/20 0.61
HTT P42858 1/20 0.60
PPARA Q07869 3/20 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
SCHEMBL1421777 0.86 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1
SCHEMBL30065433 0.86 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1
SCHEMBL1422881 0.83 CHRNB2 (0.90) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1
SCHEMBL2463534 0.83 SMN1; SMN2 (0.93) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1
SCHEMBL1422890 0.83 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1
SCHEMBL3430263 0.82 NPC1 (0.79) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1
SCHEMBL1423100 0.82 CHRNB2 (0.73) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1
SCHEMBL5959911 0.81 NPC1 (0.77) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1
SCHEMBL1422602 0.81 NPC1 (0.77) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1
SCHEMBL20370632 0.81 SMN1; SMN2 (1.00) CHRNB2CHRNA5CHRNA4SMN1; SMN2NPC1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US claimed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 EP claimed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP claimed
EP-2101763-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LAB (US) 2012-07-18 EP claimed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 EP claimed
CN-101605542-A Pharmaceutical compositions and methods of use thereof ABBOTT LAB (US) 2009-12-16 CN claimed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US claimed
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US disclosed
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US disclosed
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US disclosed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 EP disclosed
US-9186407-B2 Pharmaceutical compositions and their methods of use ABBVIE INC. (US) 2015-11-17 US disclosed
US-9186407-B2 Pharmaceutical compositions and their methods of use ABBVIE INC. (US) 2015-11-17 US disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 WO disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 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 (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-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 CHRNB2 3741/4885CHRNA5 4256/4885CHRNA4 4109/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 CHRNB2 5/4885CHRNA5 3/4885CHRNA4 1/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 CHRNB2 5/4885CHRNA5 3/4885CHRNA4 1/4885

“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.