SCHEMBL998548

SCHEMBL998548

CN1OC(C)(C)C(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
LMNA P02545 1/20 0.39
HPD P32754 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL997025 0.88 TSHR (0.38) SMN1; SMN2POLBCYP3A4LMNAHPD
SCHEMBL9871935 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19POLBHPGDCYP1A2
SCHEMBL997023 0.85 HPD (0.36) SMN1; SMN2POLBHPDNPC1RAB9A
SCHEMBL9441394 0.83 HPD (0.36) SMN1; SMN2CYP2C19CYP1A2CYP3A4LMNA
SCHEMBL997179 0.82 HPD (0.40) SMN1; SMN2HPD
SCHEMBL8713774 0.81 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19POLBHPGDCYP1A2
SCHEMBL9711511 0.80 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19POLBHPGDCYP1A2
SCHEMBL9814693 0.79 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19POLBHPGDCYP1A2
SCHEMBL1132003 0.78 POLB (0.45) SMN1; SMN2CYP2C19POLBHPGDCYP1A2
SCHEMBL9711611 0.74 HPD (0.49) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614606-B1 Herbicidal compositions BASF AG (DE) 2003-09-10 EP claimed
US-5990046-A AGGREGATE AMOUNT OF A TRIKETONE OR DIONE HERBICIDE SUCH AS SULCOTRIONE, AND DIMETHENAMID IN A WEIGHT RATIO BETWEEN 1:2 AND 1:10; CONTROLLING WEEDS IN THE PRESENCE OF A CROP; IMPROVED HERBICIDAL ACTIVITY SANDOZ LTD. (CH) 1999-11-23 US claimed
US-5491124-A PLANT GROWTH REGULATOR; CO-APPLICATION OF CERTAIN CHLOROACETAMIDES SELECTED FROM ACETOCHLOR AND METAZACHLOR AND ATLEAST ONE TRIKETONE SELECTED FROM SULCOTRIONE AND OTHERS SANDOZ LTD. (CH) 1996-02-13 US claimed
US-20140234225-A1 METHOD OF TREATMENT USING NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-21 US disclosed
US-8652464-B2 Method of treatment using nanoparticulate compositions having lysozyme as a surface stabilizer ALKERMES PHARMA IRELAND LIMITED (IE) 2014-02-18 US disclosed
US-20130224123-A1 NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER ALKERMES PHARMA IRELAND LIMITED (IE) 2013-08-29 US disclosed
US-8323641-B2 Nanoparticulate compositions having lysozyme as a surface stabilizer ALKERMES PHARMA IRELAND LIMITED (IE) 2012-12-04 US disclosed
EP-2272342-B1 Herbicidal compositions BASF SE (DE) 2012-06-27 EP disclosed
EP-2050338-B1 Herbicidal compositions BASF SE (DE) 2011-05-25 EP disclosed
EP-2272342-A2 Herbicidal compositions BASF SE (DE) 2011-01-12 EP disclosed
EP-2272341-A2 Herbizide Zusammensetzungen BASF SE (DE) 2011-01-12 EP disclosed
US-5681793-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed
US-5665673-A SEMICARBAZONES BASF AKTIENGESELLSCHAFT (DE) 1997-09-09 US disclosed
US-5665674-A SEMICARBAZONES SANDOZ LTD. (CH) 1997-09-09 US disclosed
US-5565410-A 3-OXO-4-BENZOYL-5-OXY-2,3,4,6-TETRAHYDRO-1,2-OXAZINES; HERBICIDES; MITICIDES SANDOZ LTD. (CH) 1996-10-15 US disclosed
EP-0646315-A1 Novel compositions containing an auxin transport inhibitor and another herbicide SANDOZ LTD. (CH) 1995-04-05 EP disclosed
EP-0614606-A2 Herbicidal compositions SANDOZ LTD. (CH) 1994-09-14 EP disclosed
US-5336662-A Herbicides SANDOZ LTD. (CH) 1994-08-09 US disclosed
EP-0394889-B1 Heterocyclic diones as pesticides and plant growth regulators SANDOZ AG (CH) 1994-08-03 EP disclosed
EP-0394889-A2 Heterocyclic diones as pesticides and plant growth regulators SANDOZ AG (CH) 1990-10-31 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 (2 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-20140234225-A1 METHOD OF TREATMENT USING NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER LPO, LCT, LIPA SMN1; SMN2 2101/4885CYP2C19 751/4885POLB 1148/4885
US-20130224123-A1 NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER LPO, LCT, CTSA SMN1; SMN2 2503/4885CYP2C19 712/4885POLB 1174/4885

“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.