SCHEMBL95959

SCHEMBL95959

[CH2]c1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MYOC Q99972 1/20 0.57
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
TGM2 P21980 1/20 0.51
GAA P10253 2/20 0.51
MGLL Q99685 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL3573967 0.92 MAPT (0.66) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL8776629 0.87 MAPT (0.59) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL14601827 0.85 MAPT (0.57) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL2082944 0.85 KMT2A (0.58) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL4963324 0.85 MAPT (0.57) KMT2AMAPTMEN1NPC1RAB9A
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.85 ALDH1A1 (0.62) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL6261538 0.85 MAPT (0.62) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL31188395 0.83 KMT2A (0.57) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL25490115 0.83 MEN1 (0.56) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL18779728 0.83 MAPT (0.55) KMT2AMAPTMEN1NPC1RAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB KMT2A 1059/4885MAPT 4112/4885MEN1 4401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KMT2A 2732/4885MAPT 4773/4885MEN1 3912/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KMT2A 2732/4885MAPT 4773/4885MEN1 3912/4885

“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.