SCHEMBL4684428

SCHEMBL4684428

CCOC(=O)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 11/20 0.69
CASP3 P42574 11/20 0.63
SENP8 Q96LD8 11/20 0.63
SENP7 Q9BQF6 11/20 0.63
SENP6 Q9GZR1 11/20 0.63
TDP2 O95551 4/20 0.63
NSD2 O96028 1/20 0.63
ALDH1A1 P00352 9/20 0.58
POLB P06746 7/20 0.58
CASP6 P55212 7/20 0.58
CASP8 Q14790 6/20 0.58
MAPT P10636 5/20 0.58
CASP9 P55211 5/20 0.58
CASP7 P55210 3/20 0.58
HSP90AA1 P07900 2/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL1483376 0.81 ALDH1A1 (0.55) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL7018973 0.80 HDAC3 (0.73) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL8114534 0.80 CASP3 (0.54) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL25725335 0.79 CASP3 (0.67) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL11654868 0.79 CASP3 (0.53) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL27938343 0.78 SMN1; SMN2 (0.54) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL31330145 0.78 MITF (0.47) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL11480640 0.77 ATM (0.55) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL20464026 0.77 L3MBTL1 (0.48) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL11460500 0.77 MITF (0.55) L3MBTL1CASP3SENP8SENP7SENP6

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
CN-117298108-A Androgen receptor and glucocorticoid receptor dual-target inhibitor and application thereof 浙江师范大学 2023-12-29 CN disclosed
CN-107616976-B A kind of pharmaceutical composition of Raltitrexed and preparation method thereof 南京正大天晴制药有限公司 2019-06-21 CN disclosed
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 US disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
US-4382143-A Hypolipidemic and antiatherosclerotic novel (monosubstituted-amino)heteroaryl carboxylic acids and analogs AMERICAN CYANAMID COMPANY (US) 1983-05-03 US disclosed
US-4219482-A Process for preparing thiophene and furan derivatives LABAZ (FR) 1980-08-26 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 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 (4 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 L3MBTL1 69/4885CASP3 6/4885SENP8 4735/4885
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use CTSZ, CTSE, CTSS L3MBTL1 4689/4885CASP3 669/4885SENP8 282/4885
US-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 L3MBTL1 2972/4885CASP3 1237/4885SENP8 921/4885
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 L3MBTL1 143/4885CASP3 1/4885SENP8 3891/4885

“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.