SCHEMBL10045100

SCHEMBL10045100

CCNCCCN(CCCN)CCCCCCCNCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 3/20 0.48
ALOX15 P16050 3/20 0.48
CYP2C19 P33261 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CA12 O43570 2/20 0.48
F13A1 P00488 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
THPO P40225 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CASP2 P42575 2/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 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
SCHEMBL1047933 0.90 TDP1 (0.47) TDP1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL7518052 0.89 TDP1 (0.52) TDP1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL9678656 0.89 TDP1 (0.52) TDP1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL27853903 0.87 TDP1 (0.53) TDP1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL27835921 0.87 TDP1 (0.53) TDP1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL8504211 0.87 RELA (0.50) TDP1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL6843614 0.87 TDP1 (0.53) TDP1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL13336449 0.86 CA12 (0.65) TDP1CYP1A2ALOX15CYP2C19MEN1
Hydrochloric Acid SCHEMBL5540229 0.85 UBE2N (0.52) TDP1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL29748777 0.85 ALDH1A1 (0.52) TDP1CYP1A2ALOX15CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 TDP1 258/4885CYP1A2 3343/4885ALOX15 3729/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM TDP1 258/4885CYP1A2 3343/4885ALOX15 3729/4885

“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.