SCHEMBL10036621

SCHEMBL10036621

NCCNC1CCC1NCCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA6 P23280 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA5A P35218 2/20 0.35
CA1 P00915 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12082982 0.82 CA12 (0.41) CA12CA6CA7CA9CA14
SCHEMBL26136870 0.82
SCHEMBL22738326 0.82
SCHEMBL14629935 0.75 SMYD3 (0.41) CA12CA6CA7CA9CA14
SCHEMBL4514731 0.75
SCHEMBL16221545 0.75 ANPEP (0.44) CA12CA9MEN1KMT2ACA2
SCHEMBL11694548 0.75 ANPEP (0.44) CA12CA9MEN1KMT2ACA2
Hydrochloric Acid SCHEMBL9310566 0.73 ANPEP (0.43) CA12CA9MEN1KMT2ACA2
SCHEMBL11457407 0.73 HTR1A (0.40)
SCHEMBL11453061 0.73 HTR1A (0.43) CA2CA4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-02-23 US disclosed
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-02-23 US disclosed
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-02-19 US disclosed
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-02-19 US disclosed
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-01-29 US disclosed
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-01-29 US disclosed
US-20130197210-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-20130197210-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-8277846-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-02 US disclosed
US-8277846-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-02 US disclosed
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-07-28 US disclosed
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-07-28 US disclosed
US-7968123-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-06-28 US disclosed
US-7968123-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-06-28 US disclosed
US-7807198-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-10-05 US disclosed
US-7807198-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-10-05 US disclosed
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-07 US disclosed
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-07 US disclosed
US-7166302-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 US disclosed
US-7166302-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 US 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 (5 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-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 CA12 1195/4885CA6 771/4885CA7 1477/4885
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 CA12 1090/4885CA6 753/4885CA7 1397/4885
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes INTS6, EXOSC5, PCBP1 CA12 1195/4885CA6 771/4885CA7 1477/4885
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 CA12 1090/4885CA6 753/4885CA7 1397/4885
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 CA12 1195/4885CA6 771/4885CA7 1477/4885

“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.