SCHEMBL10045167

SCHEMBL10045167

CC(C)(C)c1ccc(CNCCCNCCCCCCCNCCCNCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.63
HDAC4 P56524 5/20 0.63
HDAC1 Q13547 5/20 0.63
HDAC7 Q8WUI4 5/20 0.63
HDAC2 Q92769 5/20 0.63
HDAC10 Q969S8 5/20 0.63
HDAC11 Q96DB2 5/20 0.63
HDAC8 Q9BY41 5/20 0.63
HDAC6 Q9UBN7 5/20 0.63
HDAC9 Q9UKV0 5/20 0.63
HDAC5 Q9UQL6 5/20 0.63
CHRM2 P08172 6/20 0.61
MAOA P21397 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
KDM4E B2RXH2 1/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 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
SCHEMBL10045164 0.98 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10045159 0.98 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10045129 0.96 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9130942 0.89 HRH4 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10045127 0.89 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12829576 0.88 CA1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19458553 0.88 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10045179 0.88 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13166768 0.87 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25381118 0.86 CA1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 572/4885HDAC4 273/4885HDAC1 199/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM HDAC3 572/4885HDAC4 273/4885HDAC1 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.