SCHEMBL6586596

SCHEMBL6586596

CCOC(=O)Cc1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
ELANE P08246 1/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41

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
SCHEMBL8117700 0.88 POLB (0.41) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL17224014 0.82 CYP1A2 (0.48) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27367126 0.81 KMT2A (0.46) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6771496 0.80 ALDH1A1 (0.44) MAPTLMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL27545836 0.80 KMT2A (0.40) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7818905 0.79 MAPT (0.44) MAPTLMNAKMT2AMEN1HTT
SCHEMBL28895381 0.77 MAPT (0.45) MAPTLMNAKMT2AMEN1HTT
SCHEMBL6586971 0.77 MAPT (0.41) MAPTLMNAKMT2AMEN1HTT
SCHEMBL11243088 0.74 LMNA (0.49) MAPTLMNAKMT2AMEN1HTT
SCHEMBL27545845 0.74 KMT2A (0.37) MAPTLMNAKMT2AMEN1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150962-B1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID CO (US) 2004-04-28 EP disclosed
US-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
US-6355796-B1 REACTING BETA-AMINO-BETA-(PERFLUOROALKYL)ACRYLATE COMPOUND WITH BASE AND CARBAMOYL CHLORIDE COMPOUND TO FORM UREA COMPOUND, REACTING UREA COMPOUND WITH PHOSPHORUS PENTAHALIDE OR OXALYL HALIDE BASF AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed
US-6313295-B1 REACTING CARBAMATE WITH AMINE; CYCLIZATION, ALKYLATION BASF AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
US-6191275-B1 REACTING ETHYL 3-((N,N-DIMETHYLCARBAMOYL)AMINO)-4,4,4-TRIFLUOROCROTONATE, FOR EXAMPLE WITH AMINO COMPOUNDS IN ACID OR BASE TO FORM HERBICIDES OF FORMULA 1-(OPTIONALLY ALKYL), 3-(SUBSTITUTED),6-(PERFLUOROALKYL)-1H,4H-PYRIMIDINE-2,4-DIONE AMERICAN CYANAMID COMPANY 2001-02-20 US disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
US-6140270-A BY REACTING THEM WITH AN AMINE COMPOUND AND AN ACID OR BASE; HERBICIDES AMERICAN CYANAMID COMPANY 2000-10-31 US disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 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 (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-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT MAPT 3311/4885LMNA 1671/4885KMT2A 926/4885

“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.