SCHEMBL4300511

SCHEMBL4300511

CC(CO)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
VCAM1 P19320 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
USP7 Q93009 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
FLT1 P17948 1/20 0.39

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
SCHEMBL7781943 0.84 MAPK1 (0.50) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6834169 0.83 GPR35 (0.50) TSHRMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL18892611 0.83 TSHR (0.53) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL13875029 0.82 MAPK1 (0.58) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6834233 0.81 MAPK1 (0.47) TSHRMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL27593720 0.81 ALDH1A1 (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2POLB
SCHEMBL16959573 0.81 MAPK1 (0.50) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4307215 0.81 S100A4 (0.37) TSHRMAPK1ALDH1A1LMNAMAPT
SCHEMBL4303115 0.81 ALOX15 (0.36) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6834096 0.80 ALDH1A1 (0.44) TSHRMAPK1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-20050255403-A1 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2005-11-17 US disclosed
US-20050170281-A1 Method of cleaving labile functional groups from chemical compounds NIMBLEGEN SYSTEMS, INC. 2005-08-04 US disclosed
EP-1519941-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Chemogenix GmbH (DE) 2005-04-06 EP disclosed
EP-1480927-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2004-12-01 EP disclosed
WO-2004089529-A1 METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES Universität Konstanz (DE) 2004-10-21 WO disclosed
US-6750335-B2 NUCLEOSIDE FOR USE IN THE GENERATION OF PREFERENTIAL OLIGONUCEOTIDES NIGU CHEMIE GMBH (DE) 2004-06-15 US disclosed
WO-2004001033-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS CHEMOGENIX GMBH (DE) 2003-12-31 WO disclosed
WO-2003074542-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2003-09-12 WO disclosed
EP-1224198-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2003-04-23 EP disclosed
US-20020146737-A1 Nucleoside derivatives with photolabile protective groups NIGU CHEMIE GMBH (DE) 2002-10-10 US disclosed
EP-1224198-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2002-07-24 EP disclosed
WO-2001032671-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2001-05-10 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 (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-20020146737-A1 Nucleoside derivatives with photolabile protective groups XRN2, XPA, NSUN2 TSHR 1680/4885MAPK1 3287/4885ALDH1A1 1966/4885

“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.