SCHEMBL2603379

SCHEMBL2603379

COC(=O)C(Br)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
KCNJ1 P48048 2/20 0.43
KCNH2 Q12809 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
CTSL P07711 1/20 0.42

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
SCHEMBL16621276 0.92 TSHR (0.46) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL10610012 0.87 MAPT (0.51) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL10610015 0.87 MAPT (0.51) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL10610005 0.87 MAPT (0.51) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL14524411 0.86 ZDHHC7 (0.50) TSHRKMT2AALDH1A1
SCHEMBL8555676 0.86 TSHR (0.46) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL10613735 0.85 TSHR (0.45) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL1673057 0.85 TSHR (0.45) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL7258072 0.84 KMT2A (0.51) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL5692057 0.83 ALDH1A1 (0.50) TSHRMAPTRAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064956-A Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1991-11-12 US claimed
WO-1990007261-A2 PROCESS FOR PREPARING MONO-N-ALKYLATED POLYAZAMACROCYCLES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO claimed
EP-0374929-A1 Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1990-06-27 EP claimed
US-20120095185-A1 PROCESS FOR CHELATING COPPER IONS USING CB-TE2A BIFUNCTIONAL CHELATE NORDION (CANADA) INC. (CA) 2012-04-19 US disclosed
US-20120095185-A1 PROCESS FOR CHELATING COPPER IONS USING CB-TE2A BIFUNCTIONAL CHELATE NORDION (CANADA) INC. (CA) 2012-04-19 US disclosed
WO-2012037648-A1 PROCESS FOR CHELATING COPPER IONS USING CB-TE2A BIFUNCTIONAL CHELATE NORDION (CANADA) INC. (CA) 2012-03-29 WO disclosed
US-7306785-B2 Multifunctional cross-bridged tetraaza macrocyclic compounds and methods of making and using GENERAL ELECTRIC COMPANY (US) 2007-12-11 US disclosed
US-7306785-B2 Multifunctional cross-bridged tetraaza macrocyclic compounds and methods of making and using GENERAL ELECTRIC COMPANY (US) 2007-12-11 US disclosed
US-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates GUERBET (FR) 2007-05-03 US disclosed
US-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates GUERBET (FR) 2007-05-03 US disclosed
US-20060239926-A1 Specific high-relaxivity compounds GUERBET (FR) 2006-10-26 US disclosed
EP-1635877-A2 SPECIFIC HIGH-RELAXIVITY CONJUGATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2006-03-22 EP disclosed
WO-2004112839-A2 SPECIFIC HIGH-RELAXIVITY CONJUGATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2004-12-29 WO disclosed
EP-0374929-B1 Process for preparing mono-N-alkylated polyazamacrocycles DOW CHEMICAL CO (US) 1998-03-25 EP disclosed
US-5064956-A Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1991-11-12 US disclosed
WO-1990007261-A2 PROCESS FOR PREPARING MONO-N-ALKYLATED POLYAZAMACROCYCLES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO disclosed
EP-0374929-A1 Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1990-06-27 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 (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-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates MGAT2, MGAT1, MGAT3 TSHR 2567/4885MAPT 238/4885RAB9A 2062/4885
US-20060239926-A1 Specific high-relaxivity compounds TNNC1, TNNT2, TNNI3 TSHR 4329/4885MAPT 700/4885RAB9A 3531/4885
US-20120095185-A1 PROCESS FOR CHELATING COPPER IONS USING CB-TE2A BIFUNCTIONAL CHELATE TBCA, UBE2G2, COPG2 TSHR 807/4885MAPT 2781/4885RAB9A 821/4885

“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.