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Sugi Predict / Compounds / SCHEMBL2116079

SCHEMBL2116079

SCHEMBL2116079

O=C(O)CCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HTR7 P34969 2/20 0.47
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HTR1A P08908 3/20 0.46
▸ DRD4 P21917 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ LTA4H P09960 2/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CACNA1G O43497 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7181036 0.78 HSD17B10 (0.52) KMT2AHTR7HTR1ADRD4LMNA
SCHEMBL4416267 0.76 LMNA (0.38) MEN1MAPTKMT2AHTR7SLC6A2
SCHEMBL4428545 0.76 ALDH1A1 (0.40) MEN1MAPTKMT2AHTR7HTR1A
SCHEMBL682663 0.75 PDE4B (0.48) —
SCHEMBL875243 0.75 PDE4B (0.48) —
SCHEMBL8697900 0.75 NR1H2 (0.49) SLC6A2SLC6A4DRD4LMNAALDH1A1
SCHEMBL4423590 0.75 ESR1 (0.42) MEN1MAPTKMT2AHTR7SLC6A2
SCHEMBL8866292 0.73 GRM5 (0.46) MEN1MAPTKMT2ASLC6A2SLC6A4
SCHEMBL29104070 0.73 MAPT (0.38) MEN1MAPTKMT2ASLC6A2SLC6A4
SCHEMBL29104074 0.73 MAPT (0.38) MEN1MAPTKMT2ASLC6A2SLC6A4

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
CN-1511159-A Nitrogen-based camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-07-07 — — CN 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
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 MEN1 114/4885MAPT 3806/4885KMT2A 2430/4885
US-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 MEN1 4599/4885MAPT 3855/4885KMT2A 677/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 MEN1 1506/4885MAPT 4670/4885KMT2A 2819/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 MEN1 1453/4885MAPT 1398/4885KMT2A 572/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 MEN1 4599/4885MAPT 3855/4885KMT2A 677/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 MEN1 1506/4885MAPT 4670/4885KMT2A 2819/4885

“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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