SCHEMBL10045217

SCHEMBL10045217

CNC(=N)NCCCNCCCCCCCNCCCNC(=N)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
PAOX Q6QHF9 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
S1PR2 O95136 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35

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
SCHEMBL10045218 0.95 KDM1A (0.50) KDM1ACYP2C19CYP1A2PAOXCA12
SCHEMBL14619329 0.90 CYP1A2 (0.46) KDM1ACYP2C19CYP1A2PAOXCA12
SCHEMBL16573364 0.89 KDM1A (0.39) KDM1ACYP2C19CYP1A2PAOXCA12
SCHEMBL16573362 0.85 CA12 (0.46) KDM1ACYP2C19CYP1A2PAOXCA12
SCHEMBL27383911 0.84 CYP2C19 (0.48) KDM1ACYP2C19CYP1A2PAOXS1PR2
SCHEMBL15787142 0.84 CYP2C19 (0.50) KDM1ACYP2C19CYP1A2PAOXTSHR
SCHEMBL12157013 0.84 EPHX1 (0.44) CYP1A2PAOXKDM4EMAPK1HIF1A
SCHEMBL20036359 0.84 EPHX1 (0.44) CYP1A2PAOXKDM4EMAPK1HIF1A
SCHEMBL22882264 0.82 EPHX1 (0.40) KDM1ACA2KDM4EMAPK1HIF1A
SCHEMBL24018755 0.82 KDM4E (0.41) CYP1A2PAOXKDM4EMAPK1HIF1A

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 21 patents — showing the first 20. 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-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-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 (10 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 KDM1A 1/4885CYP2C19 4039/4885CYP1A2 3343/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH KDM1A 44/4885CYP2C19 4713/4885CYP1A2 4527/4885
US-20190262377-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B KDM1A 6/4885CYP2C19 4845/4885CYP1A2 4567/4885
US-20160143938-A1 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B KDM1A 6/4885CYP2C19 4845/4885CYP1A2 4567/4885
US-10220053-B2 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B KDM1A 6/4885CYP2C19 4845/4885CYP1A2 4567/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM KDM1A 1/4885CYP2C19 4039/4885CYP1A2 3343/4885
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 KDM1A 8/4885CYP2C19 1198/4885CYP1A2 1176/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH KDM1A 44/4885CYP2C19 4713/4885CYP1A2 4527/4885
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B KDM1A 6/4885CYP2C19 4845/4885CYP1A2 4567/4885
US-20120108500-A1 Compositions and Methods for Modulating Immunodeficiency Virus Transcription KDM3B, DNMT3B, KDM1B KDM1A 18/4885CYP2C19 4726/4885CYP1A2 3969/4885

“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.