SCHEMBL10045102

SCHEMBL10045102

CC(C)(C)CCNCCCNCCCNCCCNCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
CA3 P07451 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8248306 0.91 MLYCD (0.32)
SCHEMBL15425522 0.86
SCHEMBL16557632 0.84 PKM (0.31)
SCHEMBL10045123 0.83 CYP2C19 (0.45) CYP2C19MEN1GLAKMT2ACA3
SCHEMBL14064945 0.81 CA5A (0.44) CYP2C19MEN1GLAKMT2ACA3
SCHEMBL10045231 0.79 CA5A (0.43) CYP2C19MEN1GLAKMT2ACA3
SCHEMBL10045125 0.79 CYP2C19 (0.46) CYP2C19MEN1GLAKMT2ACA3
SCHEMBL21088215 0.78 TSHR (0.45) CYP2C19MEN1GLAKMT2ACA3
SCHEMBL14262135 0.76 TSHR (0.43) CYP2C19MEN1GLAKMT2ACA3
SCHEMBL13649902 0.76 CYP2C19 (0.36) CYP2C19MEN1GLAKMT2ACA3

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-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-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 CYP2C19 4039/4885MEN1 828/4885GLA 941/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH CYP2C19 4713/4885MEN1 3695/4885GLA 1957/4885
US-20190262377-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B CYP2C19 4845/4885MEN1 4110/4885GLA 1497/4885
US-20160143938-A1 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B CYP2C19 4845/4885MEN1 4110/4885GLA 1497/4885
US-10220053-B2 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B CYP2C19 4845/4885MEN1 4110/4885GLA 1497/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CYP2C19 4039/4885MEN1 828/4885GLA 941/4885
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 CYP2C19 1198/4885MEN1 4033/4885GLA 2618/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH CYP2C19 4713/4885MEN1 3695/4885GLA 1957/4885
US-20120108500-A1 Compositions and Methods for Modulating Immunodeficiency Virus Transcription KDM3B, DNMT3B, KDM1B CYP2C19 4726/4885MEN1 4727/4885GLA 990/4885

“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.