SCHEMBL2116076

SCHEMBL2116076

O=C(O)CCN1CCNCC1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 2/20 0.43
MITF O75030 1/20 0.43
ESR1 P03372 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHIT1 Q13231 2/20 0.39
CHIA Q9BZP6 2/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL7950557 0.86 TDP1 (0.41) TDP1L3MBTL1MITFSLC6A2SLC6A4
SCHEMBL5695790 0.85 TDP1 (0.45) TDP1L3MBTL1MITFCA1CA2
SCHEMBL5695792 0.85 TDP1 (0.47) TDP1L3MBTL1MITFESR1SLC6A2
SCHEMBL2115137 0.85 MITF (0.57) TDP1L3MBTL1MITFCA1CA2
SCHEMBL27629296 0.83 TDP1 (0.51) TDP1L3MBTL1MITFCA1CA2
SCHEMBL3738377 0.82 TDP1 (0.41) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL6711052 0.81 TDP1 (0.39) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL28861068 0.78 SLC6A2 (0.47) TDP1L3MBTL1MITFSLC6A2SLC6A4
SCHEMBL9812322 0.78 TDP1 (0.41) TDP1L3MBTL1MITFSLC6A2SLC6A4
SCHEMBL7771962 0.77 CA1 (0.39) TDP1L3MBTL1MITFCA1CA2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
EP-3207929-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2017-08-23 EP disclosed
EP-1617843-B1 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2016-12-21 EP disclosed
EP-1643987-B1 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2016-11-30 EP disclosed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 US disclosed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP disclosed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US disclosed
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 US disclosed
US-20080113941-A1 Podophyllotoxin Derivatives CALIFORNIA PACIFIC MEDICAL CENTER 2008-05-15 US disclosed
US-6825236-B2 ACTIVE AGAINST TUMORS IN MICE AND ARE GENERALLY WELL TOLERATED CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US disclosed
US-6825207-B2 ANTICANCER AGENTS CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US disclosed
US-20040204370-A1 COLCHICINE DERIVATIVES SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-10-14 US disclosed
US-20040063740-A1 For treatment of cancer SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-04-01 US disclosed
EP-1383772-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2004-01-28 EP disclosed
WO-2003101998-A1 NITROGEN-BASED HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO disclosed
US-20030073698-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-04-17 US disclosed
US-20030032624-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-02-13 US disclosed
WO-2002070525-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-09-12 WO disclosed
US-6403604-B1 ANTITUMOR CALIFORNIA PACIFIC MEDICAL CENTER 2002-06-11 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 (6 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-20040063740-A1 For treatment of cancer MGMT, PAICS, DCK TDP1 2375/4885L3MBTL1 3543/4885LTA4H 627/4885
US-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 TDP1 1322/4885L3MBTL1 274/4885LTA4H 103/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 TDP1 1142/4885L3MBTL1 3149/4885LTA4H 2297/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 TDP1 1571/4885L3MBTL1 1518/4885LTA4H 3722/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 TDP1 1322/4885L3MBTL1 274/4885LTA4H 103/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 TDP1 1142/4885L3MBTL1 3149/4885LTA4H 2297/4885

“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.