SCHEMBL4581669

SCHEMBL4581669

COC(=O)c1cc([N+](=O)[O-])cc(C(=O)O)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
AKR1B1 P15121 1/20 0.47
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL623566 0.88 ALDH1A1 (0.54) MAPTAKR1B1CTSVCTSLALDH1A1
SCHEMBL5628047 0.85 KMT2A (0.56) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL525661 0.85 PDGFRB (0.47) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL18878093 0.83 KMT2A (0.46) ALDH1A1KMT2AMEN1PDGFRBFGFR1
SCHEMBL1335440 0.83 ALDH1A1 (0.44) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL1945443 0.83 ALDH1A1 (0.46) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL3945186 0.83 MEN1 (0.51) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL28306231 0.83 ALDH1A1 (0.44) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL27091737 0.83 HTT (0.48) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL29697071 0.81 TSHR (0.57) MAPTALDH1A1TSHRKMT2AMEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000146-A None JP disclosed
CN-217409785-U Filtering and distilling equipment for synthesizing 5-nitroisophthalic acid dimethyl ester 江西大宇医药原料有限公司 2022-09-13 CN disclosed
US-9006486-B2 Synthesis of N1,N3-bis(2,3-dihydroxypropyl)-5-nitroisophthalamide LIEBEL-FLARSHEIM COMPANY LLC (US) 2015-04-14 US disclosed
US-20080188680-A1 Process Improvement Using Solubility Characteristics MALLINCKRODT INC. 2008-08-07 US disclosed
US-7351389-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2008-04-01 US disclosed
EP-1866274-A2 PROCESS IMPROVEMENT USING SOLUBILITY CHARACTERISTICS MALLINCKRODT INC. (US) 2007-12-19 EP disclosed
WO-2006093728-A2 PROCESS IMPROVEMENT USING SOLUBILITY CHARACTERISTICS MALLINCKRODT INC. (US) 2006-09-08 WO disclosed
US-6919021-B2 Simulated activity of Protein A displayed by ligands attached to a cellulose bead surface ACCURATE POLYMERS, LTD. (US) 2005-07-19 US disclosed
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-28 US disclosed
US-6875864-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-05 US disclosed
EP-1276557-A2 SIMULATED ACTIVITY OF PROTEIN A DISPLAYED BY LIGANDS ATTACHED TO A CELLULOSE BEAD SURFACE Accurate Polymers, Ltd. (US) 2003-01-22 EP disclosed
EP-0543482-B1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INT BV (NL) 2002-02-06 EP disclosed
US-20010045384-A1 Simulated activity of protein a displayed by ligands attached to a cellulose bead surface ACCURATE POLYMERS, LTD. 2001-11-29 US disclosed
WO-2001083515-A2 SIMULATED ACTIVITY OF PROTEIN A DISPLAYED BY LIGANDS ATTACHED TO A CELLULOSE BEAD SURFACE ACCURATE POLYMERS, INC. (US) 2001-11-08 WO disclosed
US-6002041-A Process for preparing di-C1 - C4 -alkyl 5-nitro-isophthalates BAYER AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 US disclosed
EP-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 EP disclosed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 WO disclosed
EP-0543482-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 1993-05-26 EP disclosed
JP-H02146-A 5-AMINO-N,N'-BIS(2,3-DISUBSTITUTED PROPYL)-2,4,6-TRIIODOISOPHTHALAMIDE MALLINCKRODT INC 1990-01-05 JP 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 (2 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-20080188680-A1 Process Improvement Using Solubility Characteristics ADH5, ADH1A, ADH1C MAPT 1162/4885AKR1B1 70/4885CTSV 3801/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS MAPT 1746/4885AKR1B1 2778/4885CTSV 2133/4885

“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.