SCHEMBL1004696

SCHEMBL1004696

O=C(O)c1cc([N+](=O)[O-])c(F)c(Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR35 Q9HC97 1/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
CASP6 P55212 1/20 0.40
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29886620 0.90 ALDH1A1 (0.44) DTYMKALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1002537 0.88 GPR35 (0.42) ALDH1A1GPR35TSHRTDP1CYP3A4
SCHEMBL1038884 0.85 ALDH1A1 (0.43) DTYMKALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1039209 0.84 DTYMK (0.46) DTYMKALDH1A1GPR35TSHRTDP1
SCHEMBL9898314 0.83 TSHR (0.49) DTYMKALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29891185 0.83 ALDH1A1 (0.52) DTYMKALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27081346 0.83 ALDH1A1 (0.52) DTYMKALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL30378797 0.83 DTYMK (0.42) DTYMKALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL1461739 0.83 DTYMK (0.42) DTYMKALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL2935033 0.82 MAPT (0.41) DTYMKALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000810-B1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVE AS MEK INHIBITOR ARRAY BIOPHARMA INC (US) 2017-07-19 EP disclosed
EP-1663210-B1 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2017-04-19 EP disclosed
EP-3000810-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVE AS MEK INHIBITOR Array Biopharma, Inc. (US) 2016-03-30 EP disclosed
EP-2275102-B1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC (US) 2015-07-29 EP disclosed
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 US disclosed
US-8513293-B2 Methods of treating a hyperproliferative disorder or inhibiting cell growth in a mammal ARRAY BIOPHARMA INC. (US) 2013-08-20 US disclosed
EP-2130536-B1 N3 alkylated benzimidazole derivatives as mek inhibitors ARRAY BIOPHARMA INC (US) 2013-05-08 EP disclosed
EP-2130537-B1 N3 alkylated benzimidazole derivatives as mek inhibitors ARRAY BIOPHARMA INC (US) 2012-11-14 EP disclosed
US-20120277277-A1 Methods of Treating a Hyperproliferative Disorder or Inhibiting Cell Growth in a Mammal ARRAY BIOPHARMA INC. (US) 2012-11-01 US disclosed
US-8193231-B2 Compositions comprising N3 alkylated benzimidazole derivatives as MEK inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-06-05 US disclosed
WO-2003077914-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC (US) 2003-09-25 WO disclosed
US-20020173501-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2002-11-21 US disclosed
US-6387928-B1 BACTERICIDES; SIDE EFFECT REDUCTION THE PROCTER & GAMBLE CO. 2002-05-14 US disclosed
US-20020049192-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2002-04-25 US disclosed
US-6348624-B1 TREATING 1-BROMO-2,4-DIFLUOROBENZENE WITH STRONG, NON-NUCLEOPHILIC BASE, REACTING WITH ELECTROPHILIC REAGENT, TREATING WITH ALKALI OR ALKALINE EARTH METAL OR ORGANOMETALLIC REAGENT AND CARBON DIOXIDE, OR FORMYLATING AND OXIDIZING THE PROCTER & GAMBLE CO. 2002-02-19 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US disclosed
EP-1045823-A1 PROCESS FOR MAKING CERTAIN BENZOIC ACID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2000-10-25 EP disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-1999035117-A1 PROCESS FOR MAKING CERTAIN BENZOIC ACID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-07-15 WO disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE 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 (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-20020049192-A1 Antimicrobial quinolones, their compositions and uses QARS1, TOP1, TOP2A DTYMK 847/4885ALDH1A1 3377/4885CYP1A2 430/4885
US-20120277277-A1 Methods of Treating a Hyperproliferative Disorder or Inhibiting Cell Growth in a Mammal PCNA, MKI67, HRAS DTYMK 227/4885ALDH1A1 1413/4885CYP1A2 4631/4885
US-20020173501-A1 Antimicrobial quinolones, their compositions and uses QARS1, TOP1, TOP2A DTYMK 847/4885ALDH1A1 3377/4885CYP1A2 430/4885

“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.