SCHEMBL2111232

SCHEMBL2111232

O=C(O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.74
KMT2A Q03164 2/20 0.67
POLB P06746 3/20 0.62
SIRT6 Q8N6T7 1/20 0.59
SOD1 P00441 1/20 0.58
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 1/20 0.55
HTR7 P34969 1/20 0.54

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
SCHEMBL7127825 0.92 HTR1A (0.67) HTR1AKMT2APOLBSIRT6SOD1
SCHEMBL16824855 0.85 POLB (0.73) HTR1AKMT2APOLBSIRT6ALDH1A1
SCHEMBL2882026 0.84 HTR1A (0.65) HTR1AKMT2APOLBSIRT6SOD1
SCHEMBL2717022 0.84 SIRT6 (0.64) HTR1AKMT2APOLBSIRT6MAPT
SCHEMBL6151796 0.84 SIRT6 (0.64) HTR1AKMT2APOLBSIRT6MAPT
SCHEMBL3187189 0.83 HTR1A (0.64) HTR1AKMT2APOLBSIRT6SOD1
SCHEMBL12431530 0.82 MAPT (0.70) HTR1AKMT2APOLBSIRT6ALDH1A1
SCHEMBL6005510 0.82 MAPT (0.67) HTR1AKMT2APOLBSIRT6SOD1
SCHEMBL5743368 0.81 HTR1A (0.61) HTR1AKMT2APOLBSIRT6MAPT
SCHEMBL9436609 0.81 HTR1A (0.61) HTR1AKMT2APOLBSIRT6SOD1

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 30 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
WO-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO disclosed
US-6825236-B2 ACTIVE AGAINST TUMORS IN MICE AND ARE GENERALLY WELL TOLERATED 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
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 (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-20040063740-A1 For treatment of cancer MGMT, PAICS, DCK HTR1A 1728/4885KMT2A 2430/4885POLB 3818/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885KMT2A 2819/4885POLB 1048/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 HTR1A 821/4885KMT2A 572/4885POLB 2878/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 HTR1A 2109/4885KMT2A 677/4885POLB 3645/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885KMT2A 2819/4885POLB 1048/4885

“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.