SCHEMBL10045071

SCHEMBL10045071

C=C(C)NCCCNCCCNCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
CASP2 P42575 2/20 0.50
F13A1 P00488 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALOX15 P16050 2/20 0.50
THPO P40225 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA3 P07451 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
SCHEMBL25782266 0.94 CA12 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL8354800 0.91
SCHEMBL10045090 0.89 PAOX (0.43) CA12CA2CA4CA6CA5A
SCHEMBL10024186 0.84
SCHEMBL17929142 0.82 PAOX (0.61) CA12CA2CA4CA6CA5A
SCHEMBL26955956 0.82 CA12 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL10045114 0.80 CYP2C19 (0.59) CA12CA2CA4CA6CA5A
SCHEMBL15270654 0.79 PAOX (0.53) CA12CA2CA4CA6CA5A
SCHEMBL22171096 0.78 PAOX (0.69) CA12CA2CA4CA6CA5A
SCHEMBL22171088 0.78 PAOX (0.69) CA12CA2CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195723-A1 \"METHODS FOR TREATMENT OF CORONAVIRUS INFECTIONS\ THE COUNCIL OF THE QUEENSLAND INSTITUTE OF MEDICAL RESEARCH (AU) 2021-10-07 WO disclosed
US-20210186905-A1 ENHANCING T-CELL FUNCTION AND TREATING A T-CELL DYSFUNCTIONAL DISORDER WITH A COMBINATION OF AN LSD INHIBITOR AND A PD-1 BINDING ANTAGONIST EPIAXIS THERAPEUTICS PTY LTD (AU) 2021-06-24 US disclosed
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS EpiAxis Therapeutics Pty Ltd. (AU) 2021-04-29 US disclosed
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2020-09-17 US disclosed
US-20190262377-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS EpiAxis Therapeutics Pty Ltd. (AU) 2019-08-29 US disclosed
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2017-09-21 US disclosed
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2017-09-21 US disclosed
US-20160143938-A1 Methods and compositions for modulating cancer stem cells EpiAxis Therapeutics Pty Ltd. (AU) 2016-05-26 US disclosed
US-20160143938-A1 Methods and compositions for modulating cancer stem cells EpiAxis Therapeutics Pty Ltd. (AU) 2016-05-26 US disclosed
WO-2014205511-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS UNIVERSITY OF CANBERRA (AU) 2014-12-31 WO disclosed
US-20120108500-A1 Compositions and Methods for Modulating Immunodeficiency Virus Transcription THE J. DAVID GLADSTONE INSTITUTES 2012-05-03 US disclosed
US-20120108500-A1 Compositions and Methods for Modulating Immunodeficiency Virus Transcription THE J. DAVID GLADSTONE INSTITUTES 2012-05-03 US disclosed
US-8148577-B2 Polyamines useful as anti-parasitic and anti-cancer therapeutics and as lysine-specific demethylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-03 US disclosed
US-8148577-B2 Polyamines useful as anti-parasitic and anti-cancer therapeutics and as lysine-specific demethylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-03 US disclosed
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-28 US disclosed
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-28 US disclosed
US-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHN HOPKINS UNIVERSITY (US) 2007-09-06 US disclosed
US-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHN HOPKINS UNIVERSITY (US) 2007-09-06 US disclosed
WO-2007021839-A2 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHNS HOPKINS UNIVERSITY (US) 2007-02-22 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 (9 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-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CA12 4412/4885CA2 2875/4885CA4 3686/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH CA12 2859/4885CA2 2587/4885CA4 4029/4885
US-20190262377-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B CA12 2619/4885CA2 2827/4885CA4 3536/4885
US-20160143938-A1 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B CA12 2619/4885CA2 2827/4885CA4 3536/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CA12 4412/4885CA2 2875/4885CA4 3686/4885
US-20210186905-A1 ENHANCING T-CELL FUNCTION AND TREATING A T-CELL DYSFUNCTIONAL DISORDER WITH A COMBINATION OF AN LSD INHIBITOR AND A PD-1 BINDING ANTAGONIST PDCD1, CD274, PDCD1LG2 CA12 4768/4885CA2 4704/4885CA4 4713/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH CA12 2859/4885CA2 2587/4885CA4 4029/4885
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B CA12 2619/4885CA2 2827/4885CA4 3536/4885
US-20120108500-A1 Compositions and Methods for Modulating Immunodeficiency Virus Transcription KDM3B, DNMT3B, KDM1B CA12 4237/4885CA2 4583/4885CA4 4314/4885

“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.