SCHEMBL3305092

SCHEMBL3305092

Nc1ncc([N+](=O)[O-])c(OCc2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 7/20 0.71
MGMT P16455 7/20 0.64
MAPT P10636 1/20 0.57
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL15968920 0.83 PIN1 (1.00) PIN1MGMT
SCHEMBL3309544 0.78 MGMT (1.00) PIN1MGMTMAPTCDK1CCNB1
SCHEMBL7752283 0.77 MGMT (0.55) PIN1MGMTMAPTCDK1CCNB1
SCHEMBL8798119 0.77 PIN1 (0.63) PIN1MGMTMAPTMEN1NPC1
SCHEMBL30112419 0.77 PIN1 (0.63) PIN1MGMTMEN1NPC1RAB9A
SCHEMBL20278132 0.76 PIN1 (0.61) PIN1MGMTMAPTMEN1NPC1
SCHEMBL4651284 0.76 PIN1 (0.69) PIN1MGMTMAPTMEN1NPC1
SCHEMBL4068099 0.76 MGMT (0.76) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL27771143 0.75 PIN1 (0.57) PIN1MGMTMEN1NPC1RAB9A
SCHEMBL8567785 0.75 PIN1 (0.53) PIN1MGMTMAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-10-02 US claimed
US-8791081-B2 MGMT inhibitor combination for the treatment of neoplastic disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-29 US claimed
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS LIU LILI 2010-04-15 US claimed
CN-101380297-A Compound platinum medicine sustained-release agent JINAN SHUAIHUA PHARMACEUTICAL (CN) 2009-03-11 CN claimed
WO-2008109417-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2008-09-12 WO claimed
CN-101254170-A An anticancer sustained release injection carrying clorfarabine and its synergist JINAN KANGQUAN PHARMACEUTICAL (CN) 2008-09-03 CN claimed
CN-101244034-A Sustained-release agent containing taxone and its synergistic agent JINAN KANGQUAN PHARMACEUTICAL (CN) 2008-08-20 CN claimed
CN-100386115-C Anti-cancer medicine composition QINGZHONG KONG (CN) 2008-05-07 CN claimed
CN-101023922-A Anti-cancer sustained-release agent carrying glucocorticoid hormone and chemotherapeutic drug KANGQUAN MEDICINE SCIENCE TECH (CN) 2007-08-29 CN claimed
CN-101002730-A Compounding anticarcinogen containing neovascular-inhibitor SHUAIHUA MEDICAL TECH CO LTD J (CN) 2007-07-25 CN claimed
CN-1846687-A Slow-release agent containing taxane and synergist thereof JINAN KANGQUAN MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1846673-A Slow-released anticancer medicine prepn containing pyrimidine medicine JINAN SHUAIHUA MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1846679-A Sustained-release injection containing methotrexate and synergist thereof JINAN SHUAIHUA MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1733300-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1628853-A Anti-cancer medicine composition KONG QINGZHONG (CN) 2005-06-22 CN claimed
EP-1142893-B1 Substituted 6(4)-benzyloxypyrimidines US HEALTH (US) 2004-12-29 EP claimed
US-20020013299-A1 Substituted O6-benzyl-8-aza-guanines THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-01-31 US claimed
EP-1142893-A1 Substituted O6-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-10-10 EP claimed
EP-0775142-A1 SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-05-28 EP claimed
WO-1996004281-A1 SUBSTITUTED O6-BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PIN1 2059/4885MGMT 1/4885MAPT 2581/4885
US-20020013299-A1 Substituted O6-benzyl-8-aza-guanines OGG1, UNG, AGT PIN1 4212/4885MGMT 4/4885MAPT 4683/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PIN1 1953/4885MGMT 1/4885MAPT 2630/4885

“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.