SCHEMBL406457

SCHEMBL406457

O=[N+]([O-])c1cc(Br)ccc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SLC18A3 Q16572 1/20 0.44
MAPK1 P28482 3/20 0.40
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ERN1 O75460 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
EGFR P00533 1/20 0.35
TSHR P16473 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL2688632 0.90 SLC18A3 (0.40) S100A4TRPV1SLC18A3MAPK1PKM
SCHEMBL28092024 0.86 S100A4 (0.41) S100A4TRPV1SLC18A3MAPK1PKM
SCHEMBL403033 0.80 SLC18A3 (0.45) SLC18A3MAPK1PKMHSP90AA1KDM4E
SCHEMBL20856579 0.79 MAPK1 (0.56) SLC18A3MAPK1TDP1TSHRMEN1
SCHEMBL31586887 0.79 TSHR (0.58) SLC18A3KDM4ETDP1TSHRGPR35
SCHEMBL25385922 0.78 S100A4 (0.41) S100A4TRPV1SLC18A3MAPK1PKM
SCHEMBL18840406 0.77 ALDH1A1 (0.43) S100A4TRPV1MAPK1PKMERN1
SCHEMBL27315627 0.77 S100A4 (0.43) S100A4TRPV1MAPK1PKMRAB9A
SCHEMBL27430080 0.76 VCAM1 (0.56) SLC18A3MAPK1TSHRMEN1KMT2A
SCHEMBL31586509 0.75 KAT2B (0.45) SLC18A3MAPK1HSP90AA1KDM4ETDP1

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
WO-2024051717-A1 COMPOUND AS PLK1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海深势唯思科技有限责任公司 2024-03-14 WO disclosed
CN-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 CN disclosed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
CN-102291989-B Herbicide derived from cyclopentanedione 辛根塔有限公司 2016-08-03 CN disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
CN-102281759-B Cyclopentadione derived herbicides SYNGENTA LTD 2014-07-23 CN disclosed
US-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
EP-2387310-A1 CYCLOPENTADIONE DERIVED HERBICIDES Syngenta Limited (GB) 2011-11-23 EP disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-D646956-S1 TV mount LEUNG ALEX 2011-10-18 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 WO disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 WO disclosed
WO-2010081894-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO disclosed
WO-2010081894-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO disclosed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 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-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES DDT, CYP1B1, CYP1A1 S100A4 3795/4885TRPV1 2161/4885SLC18A3 1949/4885

“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.