SCHEMBL5702291

SCHEMBL5702291

C=CCn1ncc(C(=O)c2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.43
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 3/20 0.39
AKR1C3 P42330 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH1 P35367 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL7696677 0.84 MAPK14 (0.43) MAPK14KMT2AALDH1A1LMNAHPGD
SCHEMBL7162982 0.82 KDM4E (0.40) KMT2AALDH1A1LMNAMEN1GAA
SCHEMBL7698941 0.72 CYP3A4 (0.49) ALDH1A1
SCHEMBL11329042 0.72 HRH1 (0.39) KMT2AALDH1A1LMNAHPGDMEN1
SCHEMBL10758396 0.72 MAPK14 (0.50) MAPK14KMT2AALDH1A1HPGDMEN1
SCHEMBL10751885 0.72 MAPK14 (0.50) MAPK14KMT2AALDH1A1LMNAHPGD
SCHEMBL5702334 0.71 ALDH1A1 (0.44) KMT2AALDH1A1LMNAHPGDMEN1
SCHEMBL252005 0.70 HSD11B1 (0.42) KMT2AALDH1A1LMNAHPGDMEN1
SCHEMBL15767958 0.69 KDM4E (0.40) KMT2AALDH1A1LMNAMEN1GAA
SCHEMBL6920598 0.68 HTT (0.44) KMT2AALDH1A1LMNAHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280778-B1 BENZOYLPYRAZOLS AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2006-08-02 EP disclosed
CN-1187335-C Benzoylpyrazoles and their use as herbicides BAYER CROP SCIENCE GMBH (DE) 2005-02-02 CN disclosed
CN-1422258-A Benzoylpyrazoles and their use as herbicides BAYER CROP SCIENCE GMBH (DE) 2003-06-04 CN disclosed
EP-1280778-A1 BENZOYLPYRAZOLS AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2003-02-05 EP disclosed
US-6420317-B1 SELECTIVE CONTROL OF BROAD-LEAVED WEEDS AND WEED GRASSES IN CROPS OF USEFUL PLANTS, SUCH AS TRANSGENIC PLANTS AVENTIS CROPSCIENCE GMBH (DE) 2002-07-16 US disclosed
US-20020065200-A1 Benzoylpyrazoles and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-05-30 US disclosed
WO-2001074785-A1 BENZOYLPYRAZOLS AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2001-10-11 WO disclosed
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
EP-1077972-A1 1-ALKYL-4-[(3-OXETANYL-)BENZOYL]-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2001-02-28 EP disclosed
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A3 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1999-02-25 WO disclosed
WO-1998042678-B1 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES 1998-11-26 WO disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed
US-5824802-A POSTEMERGENT HERBICIDE FOR CORN, WHEAT, BARLEY, RICE DOW AGROSCIENCES LLC (US) 1998-10-20 US disclosed
US-5824802-A POSTEMERGENT HERBICIDE FOR CORN, WHEAT, BARLEY, RICE DOW AGROSCIENCES LLC (US) 1998-10-20 US disclosed
US-5824802-A POSTEMERGENT HERBICIDE FOR CORN, WHEAT, BARLEY, RICE DOW AGROSCIENCES LLC (US) 1998-10-20 US disclosed
WO-1998042678-A1 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-10-01 WO disclosed
WO-1998042678-A1 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-10-01 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-20020065200-A1 Benzoylpyrazoles and their use as herbicides CYP2E1, CBR3, CYP1B1 MAPK14 2003/4885KMT2A 2495/4885ALDH1A1 153/4885

“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.