SCHEMBL16701835

SCHEMBL16701835

CC(C)(F)c1cc(Cl)nnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
SSTR4 P31391 1/20 0.30

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
SCHEMBL29899133 1.00 TDP1 (0.43) TDP1JUNNFKB1NFKB2RELA
SCHEMBL29919207 0.89 TDP1 (0.41) TDP1JUNNFKB1NFKB2RELA
SCHEMBL16701782 0.89 TDP1 (0.41) TDP1JUNNFKB1NFKB2RELA
SCHEMBL249075 0.84 TDP1 (0.44) TDP1ALDH1A1PKM
SCHEMBL29417448 0.84 TDP1 (0.44) TDP1ALDH1A1PKM
SCHEMBL1204974 0.84 TDP1 (0.44) TDP1JUNNFKB1NFKB2RELA
SCHEMBL29708780 0.84 TDP1 (0.44) TDP1JUNNFKB1NFKB2RELA
SCHEMBL16454314 0.80 HSP90AA1 (0.31)
SCHEMBL21749477 0.80 TDP1 (0.41) TDP1JUNNFKB1NFKB2RELA
SCHEMBL3075824 0.80 TDP1 (0.41) TDP1JUNNFKB1NFKB2RELA

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
US-20240083860-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FUKANG SHANGHAI HEALTH TECH CO LTD (CN) 2024-03-14 US disclosed
EP-4303217-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Fukang (Shanghai) Health Technology Co., Ltd. (CN) 2024-01-10 EP disclosed
US-20230089582-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF KPC PHARMACEUTICALS INC (CN) 2023-03-23 US disclosed
EP-4083024-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF KPC Pharmaceuticals, Inc. (CN) 2022-11-02 EP disclosed
CN-115028621-A Aromatic compound, preparation method and application thereof 甫康(上海)健康科技有限责任公司 2022-09-09 CN disclosed
CN-113454069-A 1, 2, 4-triazine-3, 5-diketone compound and preparation method and application thereof 昆药集团股份有限公司 2021-09-28 CN disclosed
WO-2021104288-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 昆药集团股份有限公司 2021-06-03 WO disclosed
EP-3068777-B1 1-(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-27 EP disclosed
EP-3068777-B1 1-(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-27 EP disclosed
US-9723840-B2 1-(pyridazin-3-yl)-imidazolidin-2-one derivatives as herbicides SYNGENTA LIMITED (GB) 2017-08-08 US disclosed
US-9723840-B2 1-(pyridazin-3-yl)-imidazolidin-2-one derivatives as herbicides SYNGENTA LIMITED (GB) 2017-08-08 US disclosed
US-9723840-B2 1-(pyridazin-3-yl)-imidazolidin-2-one derivatives as herbicides SYNGENTA LIMITED (GB) 2017-08-08 US disclosed
EP-3068777-A1 1 -(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES Syngenta Participations AG (CH) 2016-09-21 EP disclosed
US-20160262395-A1 1-(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
US-20160262395-A1 1-(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
US-20160262395-A1 1-(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
WO-2015067701-A1 1 -(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-05-14 WO disclosed
WO-2015067701-A1 1 -(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-05-14 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 (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-20160262395-A1 1-(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES DDT, CBR3, CBR1 TDP1 1882/4885JUN 4465/4885NFKB1 3672/4885
US-20230089582-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF THRB, THRA, TSHR TDP1 1882/4885JUN 1268/4885NFKB1 3281/4885
US-20240083860-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SLC10A1, GOT1, CYP46A1 TDP1 3435/4885JUN 807/4885NFKB1 1083/4885

“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.