SCHEMBL3418331

SCHEMBL3418331

Nc1ccc(-c2ccc(C(=O)O)o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
HPGD P15428 2/20 0.70
KDM4E B2RXH2 2/20 0.53
RPA1 P27694 1/20 0.53
LMNA P02545 1/20 0.51
PRNP P04156 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
SLC9A1 P19634 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 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
SCHEMBL1772679 0.90 ALDH1A1 (0.84) ALDH1A1HPGDKDM4ERPA1LMNA
SCHEMBL5509037 0.87 MAPT (0.56) ALDH1A1HPGDKDM4ERPA1LMNA
SCHEMBL2031645 0.85 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ELMNAPRNP
SCHEMBL3904837 0.84 PTPN1 (0.67) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL29013100 0.83 TDP1 (0.50) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11813532 0.83 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ELMNAPRNP
SCHEMBL27952578 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ERPA1LMNA
SCHEMBL307282 0.82 ALDH1A1 (0.92) ALDH1A1HPGDKDM4EHSD17B10NR4A1
SCHEMBL25275688 0.81 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ERPA1LMNA
SCHEMBL242273 0.81 ALDH1A1 (0.70) ALDH1A1HPGDKDM4ERPA1LMNA

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
EP-2346831-B1 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
WO-2010056585-A2 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-20 WO disclosed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US disclosed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US disclosed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US disclosed
EP-1727808-B1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2008-11-12 EP disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
US-20070203117-A1 modulators of nicotinic and/or of monoamine receptors; as diagnostic tools or monitoring agents; for in vivo neuroimaging in labeled/unlabelled forms; inflammation, pain, neurodegenerative disorders; cholinergic ligands;5-(4-Benzoylamino-phenyl)-furan-2-carboxylic acid(1-aza-bicyclo[2.2.2]oct-3-yl)-amide NEUROSEARCH A/S (DK) 2007-08-30 US disclosed
EP-1751150-A2 NOVEL AZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2007-02-14 EP disclosed
EP-1727808-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS Spirogen Limited (GB) 2006-12-06 EP disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US disclosed
WO-2005111033-A2 NOVEL AZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-24 WO disclosed
WO-2005085177-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2005-09-15 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-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 ALDH1A1 1238/4885HPGD 4461/4885KDM4E 2971/4885
US-20070203117-A1 modulators of nicotinic and/or of monoamine receptors; as diagnostic tools or monitoring agents; for in vivo neuroimaging in labeled/unlabelled forms; inflammation, pain, neurodegenerative disorders; cholinergic ligands;5-(4-Benzoylamino-phenyl)-furan-2-carboxylic acid(1-aza-bicyclo[2.2.2]oct-3-yl)-amide CHRNA5, CHRNA2, CHRNA6 ALDH1A1 923/4885HPGD 653/4885KDM4E 2153/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 ALDH1A1 2474/4885HPGD 4013/4885KDM4E 3490/4885

“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.