SCHEMBL3842407

SCHEMBL3842407

O=C=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 6/20 0.46
MAPT P10636 6/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPD P32754 2/20 0.42
MASP2 O00187 1/20 0.42
F2 P00734 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
SCHEMBL10444856 0.84 ALDH1A1 (0.37) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL1171170 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL11881933 0.80 PLAU (0.55) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL1019385 0.79 TDP1 (0.50) ALDH1A1CYP3A4HPGDHIF1ATDP1
SCHEMBL8762851 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL1108191 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8432415 0.78 MAPK1 (0.49) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL19135997 0.78 MEN1 (0.38) ALDH1A1CYP3A4HPGDTXNRD1TDP1
SCHEMBL30076337 0.78 MEN1 (0.38) ALDH1A1CYP3A4HPGDTXNRD1TDP1
SCHEMBL124224 0.77 CYP3A4 (0.49) ALDH1A1CYP3A4HPGDTSHRTDP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109536135-B Marble floor tile anti-fouling and anti-slip agent and preparation method thereof 山东中佳生活服务有限公司 2020-12-08 CN disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
CN-109536135-A A kind of marble tile anti-pollution antilubricant and preparation method thereof 山东中佳生活服务有限公司 2019-03-29 CN disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-2111443-A2 BENEFIT AGENT DELIVERY COMPOSITIONS The Procter and Gamble Company (US) 2009-10-28 EP disclosed
US-20080200363-A1 Perfumes, brighteners, insect repellants, flavors, vitamins, fabric softeners, skin care agents; increasing potency, reducing cost PROECTER & GAMBLE COMPANY, THE 2008-08-21 US disclosed
WO-2008100601-A2 BENEFIT AGENT DELIVERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
CN-1027069-C Process for producing oxazolidinedione derivative SAGAMI CHEM RES (JP) 1994-12-21 CN disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 EP disclosed
US-3990879-A SUBSTITUTED 1-THIADIAZOLYL-3-ARYL-UREAS ELI LILLY AND COMPANY (US) 1976-11-09 US 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 (1 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ALDH1A1 1563/4885CYP3A4 622/4885HPGD 909/4885

“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.