SCHEMBL2449980

SCHEMBL2449980

O=C(CI)Nc1cccc(C(=O)O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
LMNA P02545 3/20 0.68
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
CASR P41180 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 4/20 0.47
CXCR2 P25025 1/20 0.47
SELP P16109 1/20 0.46
SELE P16581 1/20 0.46
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.44
ALB P02768 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGER4 P35408 1/20 0.44
MMP2 P08253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CTSK P43235 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
SCHEMBL3716517 0.84 KMT2A (0.65) KDM4ELMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL6695143 0.83 KDM4E (0.48) KDM4ELMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL4294304 0.83 ALDH1A1 (0.68) KDM4ELMNAALDH1A1SMN1; SMN2CASR
SCHEMBL3633756 0.82 SMN1; SMN2 (0.66) KDM4ELMNAALDH1A1SMN1; SMN2CASR
SCHEMBL4290828 0.81 KDM4E (0.59) KDM4ELMNAALDH1A1SMN1; SMN2CASR
SCHEMBL4289827 0.81 KDM4E (0.64) KDM4ELMNAALDH1A1SMN1; SMN2CASR
SCHEMBL30810149 0.80 ALDH1A1 (0.63) KDM4ELMNAALDH1A1SMN1; SMN2CASR
SCHEMBL14270910 0.79 POLB (0.44) KDM4ELMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL30810156 0.76 DHODH (0.63) KDM4ELMNAALDH1A1SMN1; SMN2CASR
SCHEMBL6688900 0.76 TDP1 (0.56) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022172-B2 Clostridial toxin substrate comprising fluorphore, lanthanide donor complex and botulin toxin recognition sequence for use in detecting clostridial protease activity ALLERGAN, INC. (US) 2011-09-20 US disclosed
US-7846722-B2 Luminescence resonance energy transfer (LRET) assays for clostridial toxin activity ALLERGAN, INC. (US) 2010-12-07 US disclosed
US-20080220456-A1 LUMINESCENCE RESONANCE ENERGY TRANSFER (LRET) ASSAYS FOR CLOSTRIDIAL TOXIN ACTIVITY ALLERGAN, INC. 2008-09-11 US disclosed
US-20080064054-A1 FLUORESCENCE RESONANCE ENERGY TRANSFER (FRET) ASSAYS FOR CLOSTRIDIAL TOXIN ACTIVITY ALLERGAN, INC. 2008-03-13 US disclosed
US-20070243565-A1 LUMINESCENCE RESONANCE ENERGY TRANSFER (LRET) ASSAYS FOR CLOSTRIDIAL TOXIN ACTIVITY ALLERGAN, INC. 2007-10-18 US disclosed
EP-1792185-A2 LANTHANIDE-BASED SUBSTRATES AND METHODS FOR DETERMINING CLOSTRIDIAL TOXIN ACTIVITY Allergan, Inc. (US) 2007-06-06 EP disclosed
WO-2006033843-A2 LANTHANIDE-BASED SUBSTRATES AND METHODS FOR DETERMINING CLOSTRIDIAL TOXIN ACTIVITY ALLERGAN, INC. (US) 2006-03-30 WO disclosed
US-20060063221-A1 Lanthanide-based substrates and methods for determining clostridial toxin activity ALLERGAN, INC. 2006-03-23 US disclosed
EP-1594538-A2 COMPOSITION TO BE ADMINISTERED TO A LIVING BEING AND METHOD FOR MARKING AGENTS responsif GmbH (DE) 2005-11-16 EP disclosed
WO-2004073738-A2 COMPOSITION TO BE ADMINISTERED TO A LIVING BEING AND METHOD FOR MARKING AGENTS RESPONSIF GMBH (DE) 2004-09-02 WO disclosed
US-6528275-B1 Screening for cleavage using combinatorial fluorescence resonance energy transfer (FRET) compounds of given formula; can use to accelerate drug discovery process PEPTIDE THERAPEUTICS LIMITED (GB) 2003-03-04 US disclosed
EP-0458901-B1 INHIBITING TRANSFORMATION OF CELLS HAVING ELEVATED PURINE METABOLIC ENZYME ACTIVITY MASSACHUSETTS INST TECHNOLOGY (US) 1997-12-17 EP disclosed
EP-0758681-A2 Inhibiting transformation of cells having elevated purine metabolic enzyme activity MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1997-02-19 EP disclosed
US-5324731-A Method of inhibiting transformation of cells in which purine metabolic enzyme activity is elevated AMIRA, INC. (US) 1994-06-28 US disclosed
EP-0557383-A1 METHOD OF INHIBITING TRANSFORMATION, GROWTH AND METASTASIS OF CELLS IN WHICH PURINE METABOLIC ENZYME ACTIVITY IS ELEVATED AMIRA, INC. (US) 1993-09-01 EP disclosed
WO-1992008456-A2 METHOD OF INHIBITING TRANSFORMATION, GROWTH AND METASTASIS OF CELLS IN WHICH PURINE METABOLIC ENZYME ACTIVITY IS ELEVATED AMIRA, INC. (US) 1992-05-29 WO disclosed
EP-0458901-A1 INHIBITING TRANSFORMATION OF CELLS HAVING ELEVATED PURINE METABOLIC ENZYME ACTIVITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1991-12-04 EP disclosed
WO-1990009192-A1 INHIBITING TRANSFORMATION OF CELLS HAVING ELEVATED PURINE METABOLIC ENZYME ACTIVITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-08-23 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 (3 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-20080220456-A1 LUMINESCENCE RESONANCE ENERGY TRANSFER (LRET) ASSAYS FOR CLOSTRIDIAL TOXIN ACTIVITY LCT, LRBA, LTA KDM4E 3807/4885LMNA 613/4885ALDH1A1 4793/4885
US-20080064054-A1 FLUORESCENCE RESONANCE ENERGY TRANSFER (FRET) ASSAYS FOR CLOSTRIDIAL TOXIN ACTIVITY ANTXR2, TRAM1, TOMM34 KDM4E 4739/4885LMNA 1445/4885ALDH1A1 4811/4885
US-20070243565-A1 LUMINESCENCE RESONANCE ENERGY TRANSFER (LRET) ASSAYS FOR CLOSTRIDIAL TOXIN ACTIVITY LCT, LRBA, LTA KDM4E 3807/4885LMNA 613/4885ALDH1A1 4793/4885

“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.