SCHEMBL1535809

SCHEMBL1535809

CC(Cl)CC(=O)Nc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.39
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALDH3A1 P30838 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PAX8 Q06710 1/20 0.32

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
SCHEMBL987637 0.88 PKM (0.42) PKMKMT2AMEN1MAPTHTT
SCHEMBL8022090 0.88 PKM (0.41) PKMKMT2AMEN1MAPTHTT
Propane SCHEMBL6051102 0.85 PKM (0.42) PKMKMT2AMEN1MAPTHTT
SCHEMBL6450214 0.84 PKM (0.38) PKMKMT2AMEN1MAPTHTT
SCHEMBL6450215 0.78 PKM (0.37) PKMKMT2AMEN1MAPTHTT
SCHEMBL10559340 0.76 PKM (0.47) PKMKMT2AMEN1MAPTHTT
SCHEMBL10522944 0.75 GABRB3 (0.41) PKMKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL10659189 0.74 MAPT (0.40) PKMKMT2AMEN1MAPTHTT
SCHEMBL10565314 0.74 PKM (0.42) PKMKMT2AMEN1MAPTHTT
SCHEMBL10371785 0.73 MAPT (0.39) PKMKMT2AMEN1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 — — US claimed
US-20050090396-A1 Herbicides based on substituted carboxylic acid anilides BAYER CROPSCIENCE AG (DE) 2005-04-28 — — US claimed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 — — US claimed
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 — — US claimed
EP-3801014-B1 AGROCHEMICAL FORMULATIONS CONTAINING A POLYMERIC CRYSTAL GROWTH INHIBITOR BAYER AG (DE) 2025-08-27 — — EP disclosed
CN-112188836-B Agrochemical formulations containing polymeric crystal growth inhibitors 拜耳公司 2023-05-12 — — CN disclosed
US-11202447-B2 Herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(thi)ones and 4-HPPD-inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2021-12-21 — — US disclosed
US-20210204544-A1 AGROCHEMICAL FORMULATIONS CONTAINING A POLYMERIC CRYSTAL GROWTH INHIBITOR BAYER AG (DE) 2021-07-08 — — US disclosed
EP-3801014-A1 AGROCHEMICAL FORMULATIONS CONTAINING A POLYMERIC CRYSTAL GROWTH INHIBITOR Bayer Aktiengesellschaft (DE) 2021-04-14 — — EP disclosed
EP-3649858-A1 AGROCHEMICAL FORMULATIONS CONTAINING A POLYMERIC CRYSTAL GROWTH INHIBITOR Bayer AG (DE) 2020-05-13 — — EP disclosed
US-9055748-B2 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one BAYER CROPSCIENCE AG (DE) 2015-06-16 — — US disclosed
US-8648014-B2 Herbicides containing substituted thien-3-yl-sulphonylaminio(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2014-02-11 — — US disclosed
US-7202196-B2 Selective herbicide comprising a tetrazolinone derivative BAYER CROPSCIENCE AG (DE) 2007-04-10 — — US disclosed
US-20060276342-A1 Herbicidal compositions BAYER CROPSCIENCE GMBH (DE) 2006-12-07 — — US disclosed
US-20060276337-A1 Oil suspension concentrate BAYER CROPSCIENCE GMBH (DE) 2006-12-07 — — US disclosed
US-20050233906-A1 Oil suspension concentrate BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-10-20 — — US disclosed
US-20050090396-A1 Herbicides based on substituted carboxylic acid anilides BAYER CROPSCIENCE AG (DE) 2005-04-28 — — US disclosed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 — — US disclosed
US-20050085388-A1 Selective herbicide comprising a tetrazolinone derivative BAYER CROPSCIENCE AG (DE) 2005-04-21 — — US disclosed
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 — — 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 (10 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-20210204544-A1 AGROCHEMICAL FORMULATIONS CONTAINING A POLYMERIC CRYSTAL GROWTH INHIBITOR SDHA, SDHB, MDH1 PKM 588/4885KMT2A 2010/4885MEN1 3765/4885
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 PKM 133/4885KMT2A 505/4885MEN1 4659/4885
US-20050090396-A1 Herbicides based on substituted carboxylic acid anilides AADAC, NOTUM, NAAA PKM 2451/4885KMT2A 385/4885MEN1 4403/4885
US-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 PKM 253/4885KMT2A 405/4885MEN1 4607/4885
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one DDT, TARS2, CBR3 PKM 2880/4885KMT2A 1446/4885MEN1 4114/4885
US-11202447-B2 Herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(thi)ones and 4-HPPD-inhibitors HPD, DDT, TH PKM 329/4885KMT2A 437/4885MEN1 4823/4885
US-20060276337-A1 Oil suspension concentrate PFAS, PNPO, PLPBP PKM 658/4885KMT2A 848/4885MEN1 4609/4885
US-20050233906-A1 Oil suspension concentrate TST, PFAS, STS PKM 2477/4885KMT2A 1552/4885MEN1 4668/4885
US-20050085388-A1 Selective herbicide comprising a tetrazolinone derivative DDT, DYRK4, DYRK3 PKM 1395/4885KMT2A 1081/4885MEN1 4481/4885
US-20060276342-A1 Herbicidal compositions DDT, HDHD5, DGAT2 PKM 1696/4885KMT2A 1141/4885MEN1 4772/4885

“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.

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