SCHEMBL997179

SCHEMBL997179

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.40
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
MITF O75030 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSPA9 P38646 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRM5 P08912 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
DHODH Q02127 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL9441394 0.89 HPD (0.36) HPDMEN1KMT2AMAPTHTT
SCHEMBL997025 0.83 TSHR (0.38) HPDMEN1KMT2AMAPTHTT
SCHEMBL998548 0.82 SMN1; SMN2 (0.43) HPDSMN1; SMN2
SCHEMBL997023 0.80 HPD (0.36) HPDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9704964 0.80 KMT2A (0.35) MEN1KMT2ATP53MAPTCASP3
SCHEMBL9705483 0.78 KCNH2 (0.33) MAPTTLR2TLR1SMN1; SMN2CHRM5
SCHEMBL9739114 0.72 HPD (0.38) HPDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7688039 0.70 MEN1 (0.45) MEN1KMT2ATP53MAPTCASP3
SCHEMBL7683231 0.70 EIF4E (0.47) MEN1KMT2ATP53MAPTCASP3
SCHEMBL9704851 0.69 MEN1 (0.43) HPDMEN1KMT2ATP53MAPT

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 55 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
US-20120184625-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS UNIVERSITY OF WESTERN SYDNEY (AU) 2012-07-19 US disclosed
EP-2272342-B1 Herbicidal compositions BASF SE (DE) 2012-06-27 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-5885933-A APPLYING POSTEMERGENCE TO THE LOCUS OF A BROADLEAF WEED A HERBICIDALLY EFFECTIVE AMOUNT OF DIMETHENAMID AND BENTAZON; PLANT GROWTH CONTROLLER SANDOZ LTD. (CH) 1999-03-23 US disclosed
US-5877114-A CARBOXYLIC ACID-SUBSTITUTED AROMATIC SEMICARBAZONES BASF AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
US-5877115-A POSTEMERGENCE HERBICIDE SANDOZ LTD. (CH) 1999-03-02 US disclosed
US-5721191-A APPLYING CONCURRENTLY SANDOZ LTD. (CH) 1998-02-24 US disclosed
US-5686387-A HERBICIDE POTENTIATORS BASF AKTIENGESELLSCHAFT (DE) 1997-11-11 US disclosed
US-5681793-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed
US-5665674-A SEMICARBAZONES SANDOZ LTD. (CH) 1997-09-09 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

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-20120184625-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, MAVS, JUP HPD 805/4885MEN1 743/4885KMT2A 432/4885
US-20140234225-A1 METHOD OF TREATMENT USING NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER LPO, LCT, LIPA HPD 1827/4885MEN1 3170/4885KMT2A 1657/4885
US-20130224123-A1 NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER LPO, LCT, CTSA HPD 1972/4885MEN1 2802/4885KMT2A 1211/4885

“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.