SCHEMBL1422372

SCHEMBL1422372

O=C(O)c1cccc(-c2nc(-c3cccnc3)no2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.67
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CHRNB2 P17787 4/20 0.66
CHRNA5 P30532 4/20 0.66
CHRNA4 P43681 4/20 0.66
TP53 P04637 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPT P10636 3/20 0.63
KDM4E B2RXH2 1/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CA9 Q16790 2/20 0.63
NR1H4 Q96RI1 1/20 0.60
S1PR1 P21453 2/20 0.57
PKM P14618 1/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL60783 0.95 SMN1; SMN2 (0.67) KMONPC1RAB9AL3MBTL1CHRNB2
SCHEMBL4456727 0.89 CA9 (0.55) KMONPC1RAB9AL3MBTL1CHRNB2
SCHEMBL4456725 0.89 CA9 (0.55) KMONPC1RAB9AL3MBTL1CHRNB2
SCHEMBL1422760 0.88 CA9 (0.65) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL1422479 0.88 CHRNB2 (0.64) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL12171569 0.86 NPC1 (0.76) KMONPC1RAB9AL3MBTL1TP53
SCHEMBL28784577 0.85 S1PR1 (0.62) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL12171589 0.83 SMN1; SMN2 (0.75) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL61063 0.83 NPC1 (0.69) KMONPC1RAB9AL3MBTL1TP53
SCHEMBL60427 0.83 NPC1 (0.76) KMONPC1RAB9AL3MBTL1TP53

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 27 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
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
CN-101605542-A Pharmaceutical compositions and methods of use thereof ABBOTT LAB (US) 2009-12-16 CN 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 KMO 213/4885NPC1 1201/4885RAB9A 4444/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 KMO 2666/4885NPC1 1677/4885RAB9A 1978/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 KMO 2666/4885NPC1 1677/4885RAB9A 1978/4885

“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.