SCHEMBL486200

SCHEMBL486200

CN(C)C(=O)Oc1cc[c]cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.72
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
ACHE P22303 8/20 0.47
BCHE P06276 6/20 0.47
LMNA P02545 4/20 0.47
GLA P06280 2/20 0.47
TSHR P16473 2/20 0.47
NCEH1 Q6PIU2 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.45

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
SCHEMBL6450091 0.84 RAB9A (1.00) RAB9AKMT2ANPSR1GAAALDH1A1
SCHEMBL23360762 0.81 RAB9A (0.47) RAB9AKMT2ANPSR1GAAALDH1A1
Phenyl Dimethylcarbamate SCHEMBL491227 0.78 RAB9A (0.78) RAB9AKMT2ANPSR1GAAALDH1A1
SCHEMBL4260342 0.77 RAB9A (0.57) RAB9AKMT2ANPSR1GAAALDH1A1
P-Tolyl Dimethylcarbamate SCHEMBL360147 0.77 RAB9A (0.83) RAB9AKMT2ANPSR1GAAALDH1A1
SCHEMBL128884 0.76 LMNA (0.58) KMT2ANPSR1GAAALDH1A1PKM
SCHEMBL9301148 0.75 RAB9A (0.79) RAB9AKMT2ANPSR1GAAALDH1A1
SCHEMBL8867798 0.75 RAB9A (0.59) RAB9AKMT2ANPSR1GAAALDH1A1
SCHEMBL15139541 0.75 RAB9A (0.79) RAB9AKMT2ANPSR1GAAALDH1A1
4-Chlorophenyl Dimethylcarbamate SCHEMBL11300470 0.75 RAB9A (0.79) RAB9AKMT2ANPSR1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-4032652-A SUBSTITUTED 2H-PYRAN-2,6(3H)-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH DERIVATIVES AND METHODS OF INHIBITING THE ANTIGEN-ANTIBODY REACTION SMITHKLINE CORPORATION (US) 1977-06-28 US claimed
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 US disclosed
EP-2165830-B1 Lithographic printing plate precursor and printing method using the same FUJIFILM CORP (JP) 2011-03-16 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
US-20100071574-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
EP-2165830-A1 Lithographic printing plate precursor and printing method using the same Fujifilm Corporation (JP) 2010-03-24 EP disclosed
US-20100056597-A1 INDOLEDIONE DERIVATIVE MSD K.K. (JP) 2010-03-04 US disclosed
EP-2145884-A1 INDOLEDIONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-01-20 EP disclosed
US-20020010330-A1 Method of preparing pyrrolotriazin-4-one compound and method of preparing isothiocyanatoformic acid ester derivative that is a reactant used for preparing pyrrolotriazin-4-one compound FUJI PHOTO FILM CO., LTD. 2002-01-24 US disclosed
US-6329116-B1 CYAN COUPLER AND A DIAZONIUM SALT COMPOUND, EXCELLENT SHELF LIFE, IMAGE LIGHT-RESISTANCE, IMAGE FIXING, EXCELLENT HUE AND COLOR DENSITY, PREFERABLY MICROENCAPSULATED IN POLYURETHANE OR POLYUREA FUJI PHOTO FILM CO., LTD. (JP) 2001-12-11 US disclosed
US-6316605-B1 FOR USE IN RECORDING MATERIALS FOR THERMAL TRANSFER RECORDING, INK JET RECORDING FUJI PHOTO FILM CO., LTD. (JP) 2001-11-13 US disclosed
US-6228553-B1 SHELF LIFE, STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 2001-05-08 US disclosed
US-5925489-A CONTAINING DIAZONIUM SALT AND PYRROLOPYRIMIDINE COUPLER WHICH REACT WHEN HEATED TO DEVELOP VIOLET TO CYAN COLORS, IMAGE QUALITY AND STABILITY, SHELF LIFE FUJI PHOTO FILM CO., LTD. (JP) 1999-07-20 US disclosed
US-5232978-A 1-(2-arylethyl)-pyrrolidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0483580-A2 1-(2-Arylethyl)-pyrrolidine MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed
US-4203982-A Arylmalonamidomethoxycephalosporins SHIONOGI & CO., LTD. (JP) 1980-05-20 US disclosed
US-4032652-A SUBSTITUTED 2H-PYRAN-2,6(3H)-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH DERIVATIVES AND METHODS OF INHIBITING THE ANTIGEN-ANTIBODY REACTION SMITHKLINE CORPORATION (US) 1977-06-28 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 (2 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-20100056597-A1 INDOLEDIONE DERIVATIVE LIPE, IDO1, ADRA1A RAB9A 1251/4885KMT2A 776/4885NPSR1 761/4885
US-20020010330-A1 Method of preparing pyrrolotriazin-4-one compound and method of preparing isothiocyanatoformic acid ester derivative that is a reactant used for preparing pyrrolotriazin-4-one compound PPOX, QPCT, DDT RAB9A 3952/4885KMT2A 911/4885NPSR1 3437/4885

“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.