SCHEMBL1986111

SCHEMBL1986111

C=Cc1c(F)cccc1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
NFE2L2 Q16236 3/20 0.39
TDP1 Q9NUW8 3/20 0.33
KMT2A Q03164 1/20 0.33
IKBKB O14920 1/20 0.33
KCNH2 Q12809 2/20 0.32
MAT2A P31153 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29947357 1.00 MAOB (0.42) MAOBNFE2L2TDP1KMT2AIKBKB
SCHEMBL320296 0.88 TP53 (0.37) MAOBTDP1TP53KDM4E
SCHEMBL193995 0.83 NFE2L2 (0.46) NFE2L2TDP1IKBKBKCNH2MAT2A
SCHEMBL22579195 0.77 MAOB (0.42) MAOBNFE2L2TDP1KMT2AIKBKB
SCHEMBL31057535 0.77 MAOB (0.46) MAOBNFE2L2TDP1KMT2AIKBKB
SCHEMBL62458 0.77 MAOB (0.46) MAOBNFE2L2TDP1KMT2AIKBKB
SCHEMBL8010113 0.74 ALDH1A1 (0.39) MAOBTDP1KMT2ATP53RAB9A
SCHEMBL16933848 0.74 NFE2L2 (0.50) NFE2L2IKBKBKCNH2MAT2ARAB9A
SCHEMBL23043311 0.73 ALDH1A1 (0.44) TDP1KMT2ATP53RAB9AHPGD
SCHEMBL7027835 0.73 MAOB (0.39) MAOBNFE2L2TDP1KMT2AIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577239-B2 Sulfilimines or sulfoximines containing fungicidal heterocyclic compounds PI INDUSTRIES LTD. (IN) 2026-03-17 US disclosed
CN-114805311-B Spirocyclic indenes 苏州亚盛药业有限公司 2024-10-29 CN disclosed
CN-115052875-B 4- (4, 5-Dihydroisoxazol-3-yl) thiazol-2-yl) piperidine-thioimine or sulphoxide-imine derivatives and related compounds as fungicides for crop protection PI工业有限公司 2024-07-12 CN disclosed
EP-4058450-B1 4-(4-(4,5-DIHYDROISOXAZOL-3-YL)THIAZOL-2-YL)PIPERIDINE SULFILIMINE AND SULFOXIMINE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES FOR CROP PROTECTION PI INDUSTRIES LTD (IN) 2024-07-03 EP disclosed
WO-2023007427-A1 PREPARATION OF PHENYL SULFILIMINES OR SULFOXIMINES CONTAINING THIAZOLYL-PIPERIDINYL COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO disclosed
WO-2023007426-A1 NOVEL STYRENE COMPOUNDS AND A PROCESS FOR THE PREPARATION THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO disclosed
WO-2023007426-A1 NOVEL STYRENE COMPOUNDS AND A PROCESS FOR THE PREPARATION THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO disclosed
WO-2023007429-A1 PREPARATION OF PHENYL SULFILIMINES OR SULFOXIMINES CONTAINING THIAZOLYL-PIPERIDINYL COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO disclosed
WO-2023007427-A1 PREPARATION OF PHENYL SULFILIMINES OR SULFOXIMINES CONTAINING THIAZOLYL-PIPERIDINYL COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO disclosed
US-20230012782-A1 NOVEL SULFILIMINES OR SULFOXIMINES CONTAINING FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2023-01-19 US disclosed
US-9247748-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-02 US disclosed
US-9167821-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP disclosed
US-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-05 US disclosed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US disclosed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US disclosed
CN-102781937-A Bis(difluormethyl)pyrazoles used as fungicides BAYER CROPSCIENCE AG 2012-11-14 CN disclosed
EP-2516426-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US disclosed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 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 (5 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-20230012782-A1 NOVEL SULFILIMINES OR SULFOXIMINES CONTAINING FUNGICIDAL HETEROCYCLIC COMPOUNDS SULT1E1, SULT1A1, STS MAOB 319/4885NFE2L2 2707/4885TDP1 1939/4885
US-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MAOB 841/4885NFE2L2 2856/4885TDP1 1978/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MAOB 841/4885NFE2L2 2856/4885TDP1 1978/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MAOB 841/4885NFE2L2 2856/4885TDP1 1978/4885
US-12577239-B2 Sulfilimines or sulfoximines containing fungicidal heterocyclic compounds SULT1E1, CBR1, SULT1A1 MAOB 778/4885NFE2L2 2723/4885TDP1 2726/4885

“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.