SCHEMBL10045136

SCHEMBL10045136

c1ccc(-c2ccc(CNCCCNCCCNCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
CHRM2 P08172 4/20 0.67
MAOA P21397 1/20 0.63
HRH4 Q9H3N8 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
SIGMAR1 Q99720 3/20 0.57
CXCR4 P61073 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL18823346 0.89 CHRM2 (0.59) SMN1; SMN2CHRM2MAOAHRH4HRH3
SCHEMBL16812954 0.89 SMN1; SMN2 (0.75) SMN1; SMN2CHRM2MAOAHRH4HRH3
SCHEMBL8023026 0.87 CHRM2 (0.86) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL22624548 0.86 HRH4 (0.76) SMN1; SMN2CHRM2MAOAHRH4HRH3
SCHEMBL28290545 0.86 SMN1; SMN2 (0.61) SMN1; SMN2CHRM2MAOAHRH4HRH3
SCHEMBL16264591 0.85 CHRM2 (0.63) SMN1; SMN2CHRM2MAOAMEN1KMT2A
Hydrochloric Acid SCHEMBL8021093 0.85 CHRM2 (0.83) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL8024796 0.85 CHRM2 (0.91) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL12523231 0.85 CHRM2 (0.83) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL12523232 0.85 CHRM2 (0.83) CHRM2MAOAMEN1KMT2ATDP1

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 6 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

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 SMN1; SMN2 3337/4885CHRM2 3888/4885MAOA 989/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM SMN1; SMN2 3337/4885CHRM2 3888/4885MAOA 989/4885

“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.