SCHEMBL10045171

SCHEMBL10045171

CC(C)c1ccc(CNCCCCNCCCNCc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CHRM2 P08172 7/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HRH4 Q9H3N8 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ MAOA P21397 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL10045173 1.00 L3MBTL1 (0.62) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045143 0.98 L3MBTL1 (0.64) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045175 0.93 L3MBTL1 (0.55) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045072 0.93 SMN1; SMN2 (0.65) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045180 0.93 L3MBTL1 (0.55) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045172 0.93 L3MBTL1 (0.55) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045170 0.92 L3MBTL1 (0.54) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045139 0.91 L3MBTL1 (0.57) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL29579969 0.88 L3MBTL1 (0.70) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL21100853 0.87 SMN1; SMN2 (0.67) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3

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 L3MBTL1 209/4885CHRM2 3888/4885SMN1; SMN2 3337/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM L3MBTL1 209/4885CHRM2 3888/4885SMN1; SMN2 3337/4885

“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.

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