SCHEMBL1594986

SCHEMBL1594986

O=C(NCCCCCCS)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
EPHX2 P34913 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
CASP3 P42574 1/20 0.42
DOT1L Q8TEK3 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
SCHEMBL6516434 1.00 KMT2A (0.75) KMT2AEPHX2HDAC3HDAC4HDAC1
SCHEMBL29669240 0.95 KMT2A (0.70) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL793384 0.93 KMT2A (0.85) KMT2AEPHX2FABP7FABP5TLR2
SCHEMBL4673462 0.93 KMT2A (0.73) KMT2AEPHX2HDAC3HDAC4HDAC1
SCHEMBL30204049 0.89 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL1157227 0.89 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29458423 0.88 KMT2A (0.77) KMT2AEPHX2FABP7FABP5TLR2
SCHEMBL29401182 0.88 KMT2A (0.77) KMT2AEPHX2FABP7FABP5TLR2
SCHEMBL887559 0.88 KMT2A (0.77) KMT2AEPHX2FABP7FABP5TLR2
SCHEMBL6889085 0.88 KMT2A (0.77) KMT2AEPHX2FABP7FABP5TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796003-B1 Label free kinase assays and reagents PLEXERA, LLC (US) 2014-08-05 US disclosed
US-7919653-B2 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2011-04-05 US disclosed
EP-2157429-A2 Method of inhibiting nonspecific interaction between molecules on solid phase support Reverse Proteomics Research Institute Co., Ltd (JP) 2010-02-24 EP disclosed
US-7504709-B2 Electronic device, method of manufacturing an electronic device, and electronic apparatus SEIKO EPSON CORPORATION (JP) 2009-03-17 US disclosed
US-20080176341-A1 Method for Suppressing Intermolecular Nonspecific Interaction and for Intensifying Intermolecular Specific Interaction on Metal Surface REVERSE PROTEMICS RESEARCH INSTITUTE CO., LTD. (JP) 2008-07-24 US disclosed
US-20060177943-A1 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2006-08-10 US disclosed
EP-1553412-A1 METHOD OF INHIBITING NONSPECIFIC INTERACTION BETWEEN MOLECULES ON SOLID PHASE SUPPORT Reverse Proteomics Research Institute Co., Ltd (JP) 2005-07-13 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 (1 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-20060177943-A1 Method of inhibiting nonspecific interaction between molecules on solid phase support CD2BP2, CD14, SPR KMT2A 3769/4885EPHX2 2680/4885HDAC3 3677/4885

“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.