SCHEMBL92796

SCHEMBL92796

CCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
EPHX2 P34913 1/20 0.53
CASP3 P42574 2/20 0.47
FABP5 Q01469 2/20 0.46
FABP7 O15540 1/20 0.46
CXCR2 P25025 1/20 0.44

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
SCHEMBL31419531 1.00 KMT2A (0.66) KMT2AEPHX2CASP3FABP5FABP7
Hydrochloric Acid SCHEMBL31419532 0.99 KMT2A (0.64) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL8236471 0.92 KMT2A (0.70) KMT2AEPHX2
SCHEMBL4572008 0.90 KMT2A (0.73) KMT2AEPHX2
SCHEMBL7132449 0.89 KMT2A (0.75) KMT2AEPHX2
SCHEMBL30733150 0.88 KMT2A (0.61) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL1770756 0.88 KMT2A (0.61) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL12291373 0.88 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL4740795 0.87 KMT2A (0.64) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL18376140 0.87 KMT2A (0.64) KMT2AEPHX2CASP3FABP5FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648315-B2 Silvestrol antibody-drug conjugates and methods of use GENENTECH, INC. (US) 2023-05-16 US disclosed
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
WO-2021113528-A1 MODULATORS OF PROGRAMMED DEATH-LIGAND-1 AND/OR PROGRAMMED DEATH-LIGAND-2 SOUTHERN RESEARCH INSTITUTE (US) 2021-06-10 WO disclosed
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
US-20170348422-A1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE GENENTECH, INC. (US) 2017-12-07 US disclosed
WO-2016196393-A2 AUTOPHAGY-INHIBITING COMPOUNDS AND USES THEREOF PRESAGE BIOSCIENCES, INC. (US) 2016-12-08 WO disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
EP-2646454-B1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF EPIZYME INC (US) 2015-07-08 EP disclosed
US-8771612-B2 Photoresponsive gas-generating material, micropump and microfluid device SEKISUI CHEMICAL CO., LTD. (JP) 2014-07-08 US disclosed
US-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE The United States of America, as represented by the Secretary, Department of Health & Human Servic (US) 2014-05-22 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
US-8129505-B2 Formed by catalytic polymerization; antibody conjugates UCB PHARMA S.A. (BE) 2012-03-06 US disclosed
US-20120045393-A1 LHRH-II PEPTIDE ANALOGS BRACCO IMAGING SPA (IT) 2012-02-23 US disclosed
WO-2011091086-A1 NOVEL REAGENTS FOR DIRECTED BIOMARKER SIGNAL AMPLIFICATION SIRIGEN INC. (US) 2011-07-28 WO disclosed
US-20110014096-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2011-01-20 US disclosed
US-7850947-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2010-12-14 US disclosed
US-20080220005-A1 Comb Polymers UCB PHARMA S.A. (BE) 2008-09-11 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 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 (8 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-20170348422-A1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE SHBG, EPCAM, ITGAV KMT2A 503/4885EPHX2 774/4885CASP3 3092/4885
US-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK4, PLK3 KMT2A 2194/4885EPHX2 2190/4885CASP3 3070/4885
US-11648315-B2 Silvestrol antibody-drug conjugates and methods of use SHBG, EPCAM, ITGAV KMT2A 503/4885EPHX2 774/4885CASP3 3092/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT KMT2A 23/4885EPHX2 2164/4885CASP3 3713/4885
US-20120045393-A1 LHRH-II PEPTIDE ANALOGS LHCGR, GNRHR, FSHR KMT2A 510/4885EPHX2 1883/4885CASP3 4438/4885
US-20080220005-A1 Comb Polymers C9, F13B, PYM1 KMT2A 1777/4885EPHX2 315/4885CASP3 2347/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 KMT2A 1569/4885EPHX2 4321/4885CASP3 1082/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 KMT2A 1975/4885EPHX2 4226/4885CASP3 1661/4885

“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.