SCHEMBL3560068

SCHEMBL3560068

O=C(O)C1CCCN1Cc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 5/20 0.55
TSHR P16473 2/20 0.53
HPGD P15428 2/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.51
MMP1 P03956 1/20 0.51
MMP7 P09237 1/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC18A3 Q16572 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6222847 1.00 MEN1 (0.58) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL8230861 0.84 MAPT (0.63) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL5743850 0.80 TSHR (0.59) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL5743843 0.80 TSHR (0.59) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL3938490 0.79 CYP1A2 (0.51) MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL188635 0.79 IDO1 (0.53) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL3938487 0.79 CYP1A2 (0.51) MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL2035950 0.79 IDO1 (0.53) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL2032027 0.77 GRM5 (0.57) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL1817651 0.77 GRM5 (0.57) MEN1KMT2AALDH1A1CYP1A2CYP2C19

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 US disclosed
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 US disclosed
WO-2011014825-A2 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-02-03 WO disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-20080312201-A1 Reduced Toxicity Methotrexate Formulations and Methods for Using the Same TOSK, INCORPORATED 2008-12-18 US disclosed
US-20080312201-A1 Reduced Toxicity Methotrexate Formulations and Methods for Using the Same TOSK, INCORPORATED 2008-12-18 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 US disclosed
EP-1511710-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER S DISEASE, TYPE 2 DIABETES, AND PARKINSON S DISEASE Proteotech, Inc. (US) 2005-03-09 EP disclosed
WO-2003101927-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTEOTECH, INC. (US) 2003-12-11 WO 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 MEN1 4731/4885KMT2A 4248/4885ALDH1A1 2795/4885
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR MEN1 2378/4885KMT2A 3811/4885ALDH1A1 1615/4885
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR MEN1 2378/4885KMT2A 3811/4885ALDH1A1 1615/4885
US-20080312201-A1 Reduced Toxicity Methotrexate Formulations and Methods for Using the Same MTX1, MTX2, DHFR MEN1 1648/4885KMT2A 1989/4885ALDH1A1 1082/4885

“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.