SCHEMBL10045143

SCHEMBL10045143

CC(C)c1ccc(CNCCCNCCCNCCCNCc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ CHRM2 P08172 5/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HRH4 Q9H3N8 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ MAOA P21397 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CACNA1G O43497 1/20 0.43
▸ CXCL12 P48061 1/20 0.43
▸ CXCR4 P61073 1/20 0.43

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
SCHEMBL10045171 0.98 L3MBTL1 (0.62) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045173 0.98 L3MBTL1 (0.62) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045139 0.93 L3MBTL1 (0.57) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045072 0.91 SMN1; SMN2 (0.65) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045175 0.91 L3MBTL1 (0.55) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045172 0.91 L3MBTL1 (0.55) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045180 0.91 L3MBTL1 (0.55) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL10045170 0.90 L3MBTL1 (0.54) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL29579969 0.90 L3MBTL1 (0.70) L3MBTL1CHRM2SMN1; SMN2HRH4HRH3
SCHEMBL18232507 0.87 L3MBTL1 (0.58) 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 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 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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