SCHEMBL10045151

SCHEMBL10045151

c1ccc(-c2ccccc2CNCCCCNCCCNCc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
CHRM2 P08172 7/20 0.55
CA12 O43570 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TACR1 P25103 1/20 0.49

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
SCHEMBL10045166 1.00 SCN8A (0.60) SCN8AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2061675 0.98 SCN8A (0.58) SCN8AHDAC3HDAC4HDAC1HDAC7
SCHEMBL10045086 0.98 SCN8A (0.61) SCN8AHDAC3HDAC4HDAC1HDAC7
SCHEMBL10045126 0.90 SCN8A (0.58) SCN8AHDAC3HDAC4HDAC1HDAC7
SCHEMBL10045078 0.83 SCN8A (0.58) SCN8ACHRM2
SCHEMBL17167340 0.81 SCN8A (0.56) SCN8AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18189736 0.81 CA12 (0.56) SCN8AHDAC3HDAC4HDAC1HDAC7
SCHEMBL5373915 0.80 TACR1 (0.58) SCN8AHDAC3HDAC4HDAC1HDAC7
SCHEMBL4316455 0.80 ACHE (0.70) ACHE
SCHEMBL8250898 0.80 HDAC1 (0.95) HDAC3HDAC4HDAC1HDAC7HDAC2

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 16 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-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-10220053-B2 Methods and compositions for modulating cancer stem cells UNIVERSITY OF CANBERRA (AU) 2019-03-05 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
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-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 SCN8A 4546/4885HDAC3 572/4885HDAC4 273/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH SCN8A 2160/4885HDAC3 626/4885HDAC4 491/4885
US-20190262377-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B SCN8A 4295/4885HDAC3 86/4885HDAC4 190/4885
US-20160143938-A1 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B SCN8A 4295/4885HDAC3 86/4885HDAC4 190/4885
US-10220053-B2 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B SCN8A 4295/4885HDAC3 86/4885HDAC4 190/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM SCN8A 4546/4885HDAC3 572/4885HDAC4 273/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH SCN8A 2160/4885HDAC3 626/4885HDAC4 491/4885
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B SCN8A 4295/4885HDAC3 86/4885HDAC4 190/4885
US-20120108500-A1 Compositions and Methods for Modulating Immunodeficiency Virus Transcription KDM3B, DNMT3B, KDM1B SCN8A 4223/4885HDAC3 202/4885HDAC4 200/4885

“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.