SCHEMBL612306

SCHEMBL612306

CNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.65
MEN1 O00255 12/20 0.64
KMT2A Q03164 12/20 0.64
MYC P01106 5/20 0.64
POLB P06746 2/20 0.59
HTT P42858 2/20 0.59
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
USP2 O75604 1/20 0.59
RECQL P46063 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 3/20 0.57
GSTM2 P28161 2/20 0.57
PSMD14 O00487 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
MAX P61244 1/20 0.57
MIF P14174 1/20 0.56
GSTP1 P09211 1/20 0.55
OPRK1 P41145 2/20 0.53

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
SCHEMBL8788690 0.85 MEN1 (0.66) IDO1MEN1KMT2AMYCPOLB
SCHEMBL7052057 0.84 GSTM2 (0.66) IDO1MEN1KMT2AMYCPOLB
SCHEMBL593192 0.83 MEN1 (0.64) IDO1MEN1KMT2AMYCPOLB
SCHEMBL9099360 0.83 MEN1 (0.64) IDO1MEN1KMT2AMYCPOLB
SCHEMBL27934659 0.83 MEN1 (0.64) IDO1MEN1KMT2AMYCPOLB
SCHEMBL7904806 0.83 MEN1 (0.64) IDO1MEN1KMT2AMYCPOLB
SCHEMBL8788859 0.83 IDO1 (0.60) IDO1MEN1KMT2AMYCPOLB
SCHEMBL17781757 0.83 MEN1 (0.67) IDO1MEN1KMT2AMYCPOLB
SCHEMBL12337785 0.83 IDO1 (0.60) IDO1MEN1KMT2AMYCPOLB
SCHEMBL19222011 0.82 GSTM2 (0.67) IDO1MEN1KMT2AMYCPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US claimed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP claimed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 WO claimed
US-20230173018-A1 CASPOFUNGIN DERIVATIVES AND ASSAYS FOR EVALUATING ANTIFUNGAL TREATMENT EFFICACY RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2023-06-08 US disclosed
US-10967096-B2 Tissue sealant compositions, vascular closure devices, and uses thereof MEDIBEACON INC. (US) 2021-04-06 US disclosed
US-10960104-B2 Tissue sealant compositions, vascular closure devices, and uses thereof MEDIBEACON INC. (US) 2021-03-30 US disclosed
US-10881759-B2 Tissue sealant compositions, vascular closure devices, and uses thereof MEDIBEACON INC. (US) 2021-01-05 US disclosed
US-20190192727-A1 TISSUE SEALANT COMPOSITIONS, VASCULAR CLOSURE DEVICES, AND USES THEREOF MALLINCKRODT INC. 2019-06-27 US disclosed
US-20190192728-A1 TISSUE SEALANT COMPOSITIONS, VASCULAR CLOSURE DEVICES, AND USES THEREOF MALLINCKRODT INC. 2019-06-27 US disclosed
US-20180120314-A1 FLUORESCENT POLYBRANCHED PROBES FOR DETECTING BACTERIA AND/OR FUNGI IN VITRO AND IN VIVO THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2018-05-03 US disclosed
US-20160331862-A1 TISSUE SEALANT COMPOSITIONS, VASCULAR CLOSURE DEVICES, AND USES THEREOF MALLINCKRODT INC. 2016-11-17 US disclosed
US-20080262254-A1 Sphingolipids ETTMAYER PETER 2008-10-23 US disclosed
US-20080075660-A1 Near infrared-fluorescence using phospholipid ether analog dyes in endoscopic applications CELLECTAR, LLC (US) 2008-03-27 US disclosed
US-20080014649-A1 Method for the Determination of Body Odor KAO CORPORATION (JP) 2008-01-17 US disclosed
US-20080014649-A1 Method for the Determination of Body Odor KAO CORPORATION (JP) 2008-01-17 US disclosed
US-7297495-B2 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2007-11-20 US disclosed
US-20070166723-A1 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES INC. (US) 2007-07-19 US disclosed
US-6951930-B2 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20030113765-A1 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2003-06-19 US disclosed
US-6472153-B1 COVALENTLY BOUND OLIGONUCLEOTIDE/MINOR GROOVE BINDER/LATENT FLUOROPHORE COMBINATION EPOCH BIOSCIENCES, INC. 2002-10-29 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 (7 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-20080075660-A1 Near infrared-fluorescence using phospholipid ether analog dyes in endoscopic applications PHOSPHO1, FABP2, PNLIP IDO1 2682/4885MEN1 1010/4885KMT2A 4118/4885
US-20070166723-A1 Hybridization-triggered fluorescent detection of nucleic acids DDX21, RNGTT, NOP2 IDO1 4747/4885MEN1 2259/4885KMT2A 3428/4885
US-20030113765-A1 Hybridization-triggered fluorescent detection of nucleic acids DDX21, RNGTT, NOP2 IDO1 4747/4885MEN1 2259/4885KMT2A 3428/4885
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants GSTO1, GSTP1, GSR IDO1 3045/4885MEN1 4463/4885KMT2A 1267/4885
US-20080262254-A1 Sphingolipids SGMS2, SGMS1, SGPL1 IDO1 1273/4885MEN1 376/4885KMT2A 2656/4885
US-20230173018-A1 CASPOFUNGIN DERIVATIVES AND ASSAYS FOR EVALUATING ANTIFUNGAL TREATMENT EFFICACY ERG28, CASP1, CASP7 IDO1 2705/4885MEN1 1052/4885KMT2A 4452/4885
US-20080014649-A1 Method for the Determination of Body Odor OR10J3, OR51E2, DRD4 IDO1 1396/4885MEN1 1731/4885KMT2A 1503/4885

“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.