SCHEMBL4651284

SCHEMBL4651284

O=[N+]([O-])c1ccc(Cl)nc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.69
TXNRD1 Q16881 2/20 0.54
GSR P00390 1/20 0.54
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
MGMT P16455 2/20 0.51
MERTK Q12866 1/20 0.50
APP P05067 1/20 0.50
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
AR P10275 1/20 0.41

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
SCHEMBL16931472 0.88 PIN1 (0.55) PIN1TXNRD1GSRMEN1NPC1
SCHEMBL8701927 0.86 PIN1 (0.70) PIN1TXNRD1GSRMEN1NPC1
SCHEMBL5794250 0.86 MGMT (0.53) PIN1TXNRD1GSRMEN1NPC1
SCHEMBL16931290 0.84 PIN1 (0.51) PIN1TXNRD1GSRMEN1NPC1
SCHEMBL30112419 0.84 PIN1 (0.63) PIN1TXNRD1MEN1NPC1RAB9A
SCHEMBL20278132 0.83 PIN1 (0.61) PIN1MEN1NPC1RAB9AKMT2A
SCHEMBL15968920 0.82 PIN1 (1.00) PIN1MGMT
SCHEMBL4652574 0.81 APP (0.67) PIN1MEN1NPC1RAB9AKMT2A
SCHEMBL14332844 0.81 PIN1 (0.59) PIN1MEN1NPC1RAB9AKMT2A
SCHEMBL6175892 0.81 PIN1 (0.59) PIN1TXNRD1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
EP-2723717-A2 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2014-04-30 EP disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
WO-2012177893-A2 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2012-12-27 WO disclosed
EP-1408986-B1 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2008-09-24 EP disclosed
US-7312246-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2007-12-25 US disclosed
CN-1328261-C Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2007-07-25 CN disclosed
CN-1636981-A Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2005-07-13 CN disclosed
CN-1204137-C Uracil compound and application thereof SUMITOMO CHEMICAL CO (JP) 2005-06-01 CN disclosed
US-6858600-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2005-02-22 US disclosed
EP-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
EP-1408986-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2004-04-21 EP disclosed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
US-20030008882-A1 Proteomimetic compounds and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002089738-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2002-11-14 WO disclosed
CN-1316426-A Uracil compound and application thereof SUMITOMO CHEMICAL CO (JP) 2001-10-10 CN disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP 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 (4 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-20030008882-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 PIN1 197/4885TXNRD1 2511/4885GSR 4777/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PIN1 2126/4885TXNRD1 3566/4885GSR 3828/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PIN1 2126/4885TXNRD1 3566/4885GSR 3828/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PIN1 2126/4885TXNRD1 3566/4885GSR 3828/4885

“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.