SCHEMBL16618844

SCHEMBL16618844

CCC[CH]c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.56
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
THPO P40225 1/20 0.50
NPC1 O15118 1/20 0.50
CHRM5 P08912 1/20 0.50
GRM5 P41594 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
PTGS1 P23219 5/20 0.46
RELA Q04206 1/20 0.44
PTGS2 P35354 1/20 0.44
NQO2 P16083 1/20 0.43
FBP1 P09467 1/20 0.42
ACHE P22303 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
SCHEMBL9431977 0.88 NFE2L2 (0.52) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL16618839 0.87 NFE2L2 (0.60) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL27617456 0.79 NFE2L2 (0.56) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL27717517 0.79 TAAR1 (0.53) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL23457236 0.78 NFE2L2 (0.60) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL3106109 0.77 TP53 (0.54) CYP1A2CYP3A4CYP2D6MAPK1NPC1
SCHEMBL1759603 0.77 NFE2L2 (0.58) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL16950982 0.76 NFE2L2 (0.52) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL16955931 0.76 NFE2L2 (0.47) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL653095 0.76 NFE2L2 (0.43) NFE2L2CYP1A2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1104018-A Substituted (aralkylaminobenzyl) aminopropionamide derivatives and process for their preparation ERBA FARMITALIA (IT) 1995-06-21 CN claimed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 US disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3322296-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-23 EP disclosed
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US disclosed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP disclosed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP disclosed
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
WO-2017009321-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-19 WO disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO disclosed
EP-3051946-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP disclosed
WO-2015049351-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-04-09 WO disclosed
CN-1104018-A Substituted (aralkylaminobenzyl) aminopropionamide derivatives and process for their preparation ERBA FARMITALIA (IT) 1995-06-21 CN 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 (7 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-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR NFE2L2 233/4885CYP1A2 606/4885CYP3A4 775/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 NFE2L2 45/4885CYP1A2 360/4885CYP3A4 1029/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 NFE2L2 45/4885CYP1A2 360/4885CYP3A4 1029/4885
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS NFE2L2 40/4885CYP1A2 1406/4885CYP3A4 1782/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C NFE2L2 1077/4885CYP1A2 3232/4885CYP3A4 3893/4885
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS SQOR, DHPS, QDPR NFE2L2 233/4885CYP1A2 606/4885CYP3A4 775/4885
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS TST, GSS, SQOR NFE2L2 80/4885CYP1A2 268/4885CYP3A4 344/4885

“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.