SCHEMBL10045189

SCHEMBL10045189

c1ccc(-c2cccc(CNCCCNCCCNCCCNCc3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.60
MAOA P21397 1/20 0.57
HTR1A P08908 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIGMAR1 Q99720 4/20 0.52
BCHE P06276 1/20 0.49
AOC3 Q16853 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
VSIR Q9H7M9 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
SCHEMBL10045187 0.98 CHRM2 (0.63) CHRM2MAOAHTR1AMEN1KMT2A
SCHEMBL10045192 0.92 CHRM2 (0.51) CHRM2MAOAHTR1AMEN1KMT2A
SCHEMBL16264591 0.87 CHRM2 (0.63) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL29864521 0.85 CYP1A2 (0.64) CHRM2MAOAHTR1ASIGMAR1
SCHEMBL22000113 0.84 BCHE (0.55) CHRM2MAOAHTR1AMEN1KMT2A
SCHEMBL10045136 0.82 SMN1; SMN2 (0.68) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL8023026 0.82 CHRM2 (0.86) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL16152229 0.82 MC4R (0.53) CHRM2MAOAAOC3VSIR
SCHEMBL16436975 0.82 CYP1A2 (0.54) CHRM2MAOAHTR1ASIGMAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL29778319 0.80 MC4R (0.51) CHRM2MAOAAOC3VSIR

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 CHRM2 3888/4885MAOA 989/4885HTR1A 3437/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CHRM2 3888/4885MAOA 989/4885HTR1A 3437/4885

“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.