SCHEMBL4688384

SCHEMBL4688384

O=C(c1ccccc1)c1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 3/20 0.49
VCAM1 P19320 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TTR P02766 3/20 0.48
GPR35 Q9HC97 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48

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
Acetic Acid SCHEMBL27660224 0.95 TDP1 (0.50) TDP1L3MBTL1MAPK1VCAM1ALDH1A1
SCHEMBL28248082 0.90 MAPK1 (0.45) TDP1L3MBTL1MAPK1VCAM1ALDH1A1
Benzoic Acid Hydrazide SCHEMBL28020272 0.89 CTSD (0.51) TDP1L3MBTL1MAPK1VCAM1ALDH1A1
SCHEMBL17819747 0.84 TDP1 (0.64) TDP1L3MBTL1MEN1KMT2AGPR35
SCHEMBL355378 0.84 TDP1 (0.64) TDP1L3MBTL1MEN1KMT2AGPR35
SCHEMBL1349352 0.82 MAPK1 (0.51) TDP1MAPK1VCAM1ALDH1A1MEN1
SCHEMBL28085778 0.82 MAPK1 (0.51) TDP1L3MBTL1MAPK1VCAM1ALDH1A1
SCHEMBL4691688 0.81 GPR35 (0.53) TDP1L3MBTL1MAPK1VCAM1ALDH1A1
SCHEMBL28085787 0.81 MAPK1 (0.50) TDP1MAPK1VCAM1ALDH1A1MEN1
SCHEMBL11854765 0.80 MAPK1 (0.60) TDP1L3MBTL1MAPK1VCAM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033145-B Benzothiazine and benzothiadiazines compound and preparation and application 浙江大学 2019-11-22 CN disclosed
CN-109503686-A New nucleoside phosphoramidate compound and its application 南京圣和药业股份有限公司 2019-03-22 CN disclosed
CN-109476672-A NOVEL HETEROCYCLIC DERIVATIVE COMPOUND AND USE THEREOF 韩美药品株式会社 2019-03-15 CN disclosed
CN-108863820-A A kind of synthetic method of substituted o-phenylenediamine 枣庄学院 2018-11-23 CN disclosed
CN-108602770-A Novel biphenol compound or its salt 大鹏药品工业株式会社 2018-09-28 CN disclosed
CN-105814054-B Condensed imidazole and pyrazole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-09-25 CN disclosed
CN-108546277-A New nucleoside phosphoramidate compound and its application 南京圣和药业股份有限公司 2018-09-18 CN disclosed
CN-108503593-A 2- amino-metadiazine compounds and its application 暨南大学 2018-09-07 CN disclosed
CN-108314697-A New nucleoside phosphoramidate compound and its application 南京圣和药业股份有限公司 2018-07-24 CN disclosed
CN-108290878-A NOVEL FERROPORTIN INHIBITORS 威佛(国际)股份公司 2018-07-17 CN disclosed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 CN disclosed
US-7141584-B2 guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2004-06-24 US disclosed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 US disclosed
US-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors BLEY KEITH ROGER (US) 2003-12-11 US disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 US disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 US disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 US disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 US disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 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-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors LTB4R2, LTB4R, ALOX5 TDP1 2963/4885L3MBTL1 4289/4885MAPK1 1105/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R TDP1 3471/4885L3MBTL1 4796/4885MAPK1 1553/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 TDP1 3302/4885L3MBTL1 4756/4885MAPK1 1650/4885

“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.