SCHEMBL10045185

SCHEMBL10045185

Fc1ccc(CNCCCCNCCCNCc2ccc(F)cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.92
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
MPO P05164 1/20 0.56
LMNA P02545 1/20 0.55
SCN8A Q9UQD0 1/20 0.54
ACHE P22303 3/20 0.54
MAOA P21397 1/20 0.54
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL10045186 0.98 CHRM2 (0.88) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL14619486 0.91 CHRM2 (0.76) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8019471 0.87 CHRM2 (0.82) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8328507 0.86 CHRM2 (0.75) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8328363 0.84 CHRM2 (0.79) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL5635018 0.83 CHRM2 (0.71) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8351299 0.83 CHRM2 (0.71) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL4262728 0.83 CHRM2 (0.71) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1568357 0.83 CHRM2 (0.70) CHRM2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL9672905 0.82 CHRM2 (0.69) CHRM2HDAC3HDAC1HDAC2HDAC8

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 CHRM2 3888/4885HDAC3 572/4885HDAC1 199/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CHRM2 3888/4885HDAC3 572/4885HDAC1 199/4885

“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.