SCHEMBL10045233

SCHEMBL10045233

O=C(NCCCNCCCNCCCNC(=O)C1CC1)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
GNAI3 P08754 3/20 0.47
GNAO1 P09471 3/20 0.47
GNAI1 P63096 3/20 0.47
KMT2A Q03164 1/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CHRNB2 P17787 5/20 0.44
CHRNB4 P30926 5/20 0.44
CHRNA3 P32297 5/20 0.44
CHRNA4 P43681 5/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRM1 Q13255 2/20 0.44
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL3517686 0.82 KMT2A (0.52) NAAAGNAI3GNAO1GNAI1KMT2A
SCHEMBL3517689 0.82 NAAA (0.52) NAAAGNAI3GNAO1GNAI1KMT2A
SCHEMBL15609572 0.80 NAAA (0.50) NAAAGNAI3GNAO1GNAI1KMT2A
SCHEMBL1689436 0.80 KMT2A (0.50) NAAAGNAI3GNAO1GNAI1KMT2A
SCHEMBL1679331 0.80 NAAA (0.70) NAAAGNAI3GNAO1GNAI1KMT2A
SCHEMBL3794825 0.80 GNAI3 (0.50) NAAAGNAI3GNAO1GNAI1KMT2A
SCHEMBL2331473 0.78 EPHX2 (0.51) NAAAGNAI3GNAO1GNAI1KMT2A
SCHEMBL377246 0.78 NAAA (0.79) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL14711886 0.78 NAAA (0.49) NAAAGNAI3GNAO1GNAI1KMT2A
SCHEMBL25990611 0.77 NAAA (0.51) NAAAGNAI3GNAO1GNAI1CHRNB2

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 NAAA 326/4885GNAI3 1252/4885GNAO1 712/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM NAAA 326/4885GNAI3 1252/4885GNAO1 712/4885

“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.