SCHEMBL1423487

SCHEMBL1423487

Fc1ccc(-c2noc(-c3cccnc3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.77
TP53 P04637 5/20 0.77
CHRNB2 P17787 3/20 0.76
CHRNA5 P30532 3/20 0.76
CHRNA4 P43681 3/20 0.76
S1PR1 P21453 2/20 0.72
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
ALDH1A1 P00352 4/20 0.68
MAPT P10636 4/20 0.68
HSD17B10 Q99714 2/20 0.68
KDM4E B2RXH2 1/20 0.68
HPGD P15428 1/20 0.68
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
POLB P06746 1/20 0.60
PPARA Q07869 3/20 0.58
TSHR P16473 2/20 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
SCHEMBL1422602 0.94 NPC1 (0.77) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4
SCHEMBL3796996 0.87 SMN1; SMN2 (1.00) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4
SCHEMBL1422890 0.87 CHRNB2 (1.00) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4
SCHEMBL4463851 0.86 SMN1; SMN2 (0.58) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4
SCHEMBL4463848 0.86 SMN1; SMN2 (0.58) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4
SCHEMBL5959951 0.85 SMN1; SMN2 (0.84) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4
SCHEMBL14327841 0.84 SMN1; SMN2 (0.88) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4
SCHEMBL8051460 0.84 SMN1; SMN2 (0.77) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4
SCHEMBL1423202 0.84 CHRNB2 (0.89) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4
SCHEMBL13417237 0.84 S1PR1 (1.00) SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4

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 25 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
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 EP claimed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US claimed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 WO claimed
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
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP disclosed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 US disclosed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 EP disclosed
WO-2009148452-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-10 WO disclosed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 EP 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
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 SMN1; SMN2 2521/4885TP53 4001/4885CHRNB2 3741/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 SMN1; SMN2 479/4885TP53 4673/4885CHRNB2 5/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 SMN1; SMN2 479/4885TP53 4673/4885CHRNB2 5/4885

“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.