SCHEMBL543469

SCHEMBL543469

C[CH]c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.59
FBP1 P09467 1/20 0.51
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
TTR P02766 1/20 0.45
PIM1 P11309 1/20 0.45
CISD1 Q9NZ45 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
P4HB P07237 1/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 3/20 0.44

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
SCHEMBL18242080 0.83 NFE2L2 (0.43) NFE2L2FBP1TSHRMAPK1MEN1
SCHEMBL30620000 0.83 NFE2L2 (0.66) NFE2L2FBP1TSHRMAPK1MEN1
SCHEMBL2662410 0.83 NFE2L2 (0.66) NFE2L2FBP1TSHRMAPK1MEN1
SCHEMBL2787109 0.83 NFE2L2 (0.66) NFE2L2FBP1TSHRMAPK1MEN1
SCHEMBL11437739 0.83 NFE2L2 (0.66) NFE2L2FBP1TSHRMAPK1MEN1
SCHEMBL3237563 0.82 NFE2L2 (0.58) NFE2L2FBP1TSHRMAPK1MEN1
Acetaldehyde SCHEMBL28151033 0.82 NFE2L2 (0.54) NFE2L2FBP1TSHRMAPK1MEN1
SCHEMBL18242801 0.80 NFE2L2 (0.41) NFE2L2FBP1TSHRMAPK1MEN1
SCHEMBL349422 0.80 HDAC8 (0.44) NFE2L2FBP1MEN1MAPTKMT2A
SCHEMBL543252 0.80 NFE2L2 (0.56) NFE2L2FBP1TSHRMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP claimed
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 claimed
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP claimed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP claimed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US claimed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US claimed
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP claimed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP claimed
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof NEFZI ADEL (US) 2005-05-26 US claimed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 US claimed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 US claimed
EP-1244617-B1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO MCNEIL PHARM INC (US) 2005-02-16 EP claimed
US-20030120066-A1 Synthetic peptides NEFZI ADEL (US) 2003-06-26 US claimed
US-6583179-B2 For therapy of uterine fibroids, endometriosis, polycystic ovarian disease, dysfunctional uterine bleeding, breast cancer and ovarian cancer; depletion of oocytes; spermatocyte depletion; for female and male contraception ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 US claimed
US-6441172-B1 DI- AND TRI-SUBSTITUTED-1,4-DIAZACYCLIC COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2002-08-27 US claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 233/4885FBP1 353/4885TSHR 4125/4885
US-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 NFE2L2 98/4885FBP1 317/4885TSHR 4544/4885
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof DHPS, DCK, DAZAP1 NFE2L2 2670/4885FBP1 866/4885TSHR 4153/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 NFE2L2 145/4885FBP1 108/4885TSHR 4786/4885
US-20030120066-A1 Synthetic peptides VIP, NGLY1, GRPR NFE2L2 4119/4885FBP1 1438/4885TSHR 1043/4885
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS SQOR, DHPS, QDPR NFE2L2 233/4885FBP1 353/4885TSHR 4125/4885

“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.