SCHEMBL1919913

SCHEMBL1919913

CC(C)(C)OC(=O)NCCCN(CCCCN(CCCN(CCCN)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.60
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA12 O43570 6/20 0.41
CA9 Q16790 6/20 0.41
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
DRD2 P14416 1/20 0.36
EPHX1 P07099 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3472122 0.99 CA14 (0.62) CA14TDP1MAOAMAOBMEN1
SCHEMBL4370840 0.97 CA14 (0.59) CA14TDP1MAOAMAOBMEN1
SCHEMBL14107661 0.96 CA14 (0.56) CA14TDP1MAOAMAOBMEN1
SCHEMBL14107562 0.96 CA14 (0.56) CA14TDP1MAOAMAOBMEN1
SCHEMBL7631999 0.96 CA14 (0.62) CA14TDP1MAOAMAOBMEN1
SCHEMBL5919555 0.96 CA14 (0.58) CA14TDP1MAOAMAOBMEN1
SCHEMBL19340291 0.94 CA14 (0.57) CA14TDP1MAOAMAOBMEN1
SCHEMBL25238320 0.93 CA14 (0.56) CA14TDP1MAOAMAOBMEN1
SCHEMBL17396373 0.93 CA14 (0.56) CA14TDP1MAOAMAOBMEN1
SCHEMBL7270004 0.93 CA14 (0.58) CA14TDP1MAOAMAOBMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643301-B1 TECHNETIUM-99M COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PF MEDICAMENT (FR) 2017-10-04 EP disclosed
EP-2326653-B1 NEW (POLY)AMINOALKYLAMINOALKYL-UREA DERIVATIVES OF EPIPODOPHYLLOTOXIN, A PROCESS FOR PREPARING THEM, AND APPLICATION THEREOF IN THERAPY AS ANTICANCER AGENTS PF MEDICAMENT (FR) 2013-12-11 EP disclosed
US-8492567-B2 (Poly)Aminoalkylaminoalkylamide, alkyl-urea, or alkyl-sulfonamide derivatives of epipodophyllotoxin, a process for preparing them, and application thereof in therapy as anticancer agents PIERRE FABRE MEDICAMENT (FR) 2013-07-23 US disclosed
US-20130171067-A1 TECHNETIUM-99m COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
US-20120283281-A1 NEW (POLY)AMINOALKYLAMINOALKYLAMIDE, ALKYL-UREA, OR ALKYL-SULFONAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN, A PROCESS FOR PREPARING THEM, AND APPLICATION THEREOF IN THERAPY AS ANTICANCER AGENTS IMBERT THIERRY (FR) 2012-11-08 US disclosed
US-8288567-B2 (Poly) aminoalkylaminoalkylamide, alkyl-urea, or alkyl-sulfonamide derivatives of epipodophyllotoxin, a process for preparing them, and application thereof in therapy as anticancer agents PIERRE FABRE MEDICAMENT (FR) 2012-10-16 US disclosed
US-20110172257-A1 (POLY) AMINOALKYLAMINOALKYLAMIDE, ALKYL-UREA, OR ALKYL-SULFONAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN, A PROCESS FOR PREPARING THEM, AND APPLICATION THEREOF IN THERAPY AS ANTICANCER AGENTS PIERRE FABRE MEDICAMENT (FR) 2011-07-14 US disclosed
EP-2326653-A1 NEW (POLY)AMINOALKYLAMINOALKYLAMIDE, ALKYL-UREA, OR ALKYL-SULFONAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN, A PROCESS FOR PREPARING THEM, AND APPLICATION THEREOF IN THERAPY AS ANTICANCER AGENTS Pierre Fabre Médicament (FR) 2011-06-01 EP disclosed
WO-2010020663-A1 NEW (POLY)AMINOALKYLAMINOALKYLAMIDE, ALKYL-UREA, OR ALKYL-SULFONAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN, A PROCESS FOR PREPARING THEM, AND APPLICATION THEREOF IN THERAPY AS ANTICANCER AGENTS PIERRE FABRE MEDICAMENT (FR) 2010-02-25 WO disclosed
US-7411002-B2 Polycationic sulfonamides and use thereof THE UNIVERSITY OF KANSAS (US) 2008-08-12 US disclosed
US-20070287750-A1 Polycationic sulfonamides and use thereof THE UNIVERSITY OF KANSAS (US) 2007-12-13 US disclosed
US-20070197658-A1 Polyamines and their use as antibacterial and sensitizing agents KANSAS, UNIVERSITY OF 2007-08-23 US disclosed
US-20070197658-A1 Polyamines and their use as antibacterial and sensitizing agents KANSAS, UNIVERSITY OF 2007-08-23 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 (5 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-20130171067-A1 TECHNETIUM-99m COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS SLC40A1, CDC73, BRCA1 CA14 15/4885TDP1 1712/4885MAOA 2345/4885
US-20070287750-A1 Polycationic sulfonamides and use thereof STS, PTDSS2, PTDSS1 CA14 671/4885TDP1 3575/4885MAOA 4794/4885
US-20110172257-A1 (POLY) AMINOALKYLAMINOALKYLAMIDE, ALKYL-UREA, OR ALKYL-SULFONAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN, A PROCESS FOR PREPARING THEM, AND APPLICATION THEREOF IN THERAPY AS ANTICANCER AGENTS CCNH, HCCS, KCNH1 CA14 2174/4885TDP1 4046/4885MAOA 3160/4885
US-20120283281-A1 NEW (POLY)AMINOALKYLAMINOALKYLAMIDE, ALKYL-UREA, OR ALKYL-SULFONAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN, A PROCESS FOR PREPARING THEM, AND APPLICATION THEREOF IN THERAPY AS ANTICANCER AGENTS NPEPPS, XPOT, UTS2R CA14 3272/4885TDP1 2472/4885MAOA 3454/4885
US-20070197658-A1 Polyamines and their use as antibacterial and sensitizing agents SRM, SMS, C9 CA14 4622/4885TDP1 2763/4885MAOA 2303/4885

“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.