SCHEMBL1193307

SCHEMBL1193307

COc1c[c]c(OC)c2c(OC)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
POLB P06746 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
GAA P10253 2/20 0.39
ABL1 P00519 1/20 0.38
RAD52 P43351 1/20 0.38
RIN1 Q13671 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL2070927 0.79 IDO1 (0.44) KDM4EMAPTCA12CA1CA2
SCHEMBL5107154 0.76 MAPT (0.34) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL1193308 0.73 KMT2A (0.52) MAOAKMT2AMEN1POLBABCG2
SCHEMBL31064575 0.69 CA1 (0.57) MAOAKMT2AMEN1ABCG2KDM4E
SCHEMBL27945680 0.69 CA1 (0.57) MAOAKMT2AMEN1ABCG2KDM4E
SCHEMBL31116611 0.67 CA1 (0.61) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL357145 0.67 CA1 (0.61) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL14176625 0.67 USP2 (0.46) MAOAKMT2AMEN1POLBABCG2
SCHEMBL4072624 0.67 IMPDH2 (0.44) MAOAKMT2AMEN1KDM4EMAPT
SCHEMBL5751097 0.67 HPGD (0.39) MAOAKMT2AMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552067-B2 poly(imino-keto-methylene/amine) derivatives as a bioactive part in conjugates; diarrhea caused by pathogens: Vibrio cholerae, Clostridium difficile, Escherichia coli, Shigella, Salmonella, rotavirus; or enterotoxins: cholera toxin, E. coli toxin, Salmonella toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-08 US disclosed
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 US disclosed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 US disclosed
EP-2117601-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2009-11-18 EP disclosed
EP-1740532-A4 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF UNIV CALIFORNIA (US) 2009-06-10 EP disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 US disclosed
US-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-17 US disclosed
WO-2008079897-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-03 WO disclosed
EP-1740532-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF The Regents of the University of California (US) 2007-01-10 EP disclosed
US-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-27 US disclosed
WO-2005094374-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 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 (4 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-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof CFTR, ABCC5, SLC9A5 MAOA 2958/4885KMT2A 3064/4885MEN1 3964/4885
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 MAOA 2958/4885KMT2A 3064/4885MEN1 3964/4885
US-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR CFTR, SLC47A1, SLC47A2 MAOA 4715/4885KMT2A 4791/4885MEN1 3958/4885
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 MAOA 2958/4885KMT2A 3064/4885MEN1 3964/4885

“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.