SCHEMBL4667734

SCHEMBL4667734

O=[N+]([O-])c1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
TSHR P16473 2/20 0.63
ALOX15 P16050 1/20 0.63
PELI1 Q96FA3 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
ESR1 P03372 1/20 0.57
GSK3B P49841 1/20 0.55
PGR P06401 2/20 0.54
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
VCP P55072 1/20 0.52
TDP2 O95551 2/20 0.51
ELANE P08246 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
Phenol SCHEMBL28284718 0.91 ALDH1A1 (0.67) ALDH1A1TSHRALOX15PELI1LMNA
SCHEMBL30469251 0.87 ALDH1A1 (0.78) ALDH1A1TSHRALOX15PELI1MEN1
SCHEMBL20557926 0.87 ALDH1A1 (0.78) ALDH1A1TSHRALOX15PELI1MEN1
SCHEMBL7838339 0.86 LMNA (0.64) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL4516641 0.86 TSHR (0.64) ALDH1A1TSHRALOX15LMNAPGR
SCHEMBL3009086 0.86 ESR1 (0.61) ALDH1A1TSHRALOX15PELI1MEN1
Dinitrophenylene SCHEMBL27738809 0.86 TSHR (0.77) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL6738366 0.86 TSHR (0.76) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL29526232 0.84 TSHR (0.67) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL2009026 0.84 TSHR (0.67) ALDH1A1TSHRALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
CN-108883099-A THIAZOLIDINONE COMPOUNDS AND USE THEREOF 石全 2018-11-23 CN disclosed
EP-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed
US-9890176-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-02-13 US disclosed
EP-2970353-A2 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2016-01-20 EP disclosed
CN-105164142-A Mannose derivatives for the treatment of bacterial infections VERTEX PHARMA 2015-12-16 CN disclosed
WO-2014165107-A2 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-09 WO disclosed
US-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 US disclosed
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 US disclosed
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 US disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed
US-6214842-B1 TREATING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA TYPICALLY ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE; TREATING DIABETES TYPES I AND II WYETH 2001-04-10 US disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
EP-0852486-A2 ANTIPLAQUE ORAL COMPOSITION Colgate-Palmolive Company (US) 1998-07-15 EP disclosed
US-5723500-A WATER INSOLUBLE, NONCATIONIC, ANTIBACTERIAL, STERICALLY HINDERED PHENOL; MOUTHWASHES, DENTIFRICES COLGATE-PALMOLIVE COMPANY (US) 1998-03-03 US disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed
WO-1997010800-A2 ANTIPLAQUE ORAL COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 1997-03-27 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 (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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO ALDH1A1 711/4885TSHR 3234/4885ALOX15 592/4885
US-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS TLR5, TLR1, MANBA ALDH1A1 1488/4885TSHR 4373/4885ALOX15 346/4885

“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.