SCHEMBL289606

SCHEMBL289606

FC(F)(F)Oc1ccccc1.OBO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.45
MAPT P10636 3/20 0.44
EPHX2 P34913 2/20 0.44
CCR6 P51684 2/20 0.42
KCNH2 Q12809 2/20 0.42
PLA2G1B P04054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KMT2A Q03164 2/20 0.42
KIF11 P52732 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX1 P07099 1/20 0.40
SERPINE1 P05121 1/20 0.40
SLC7A5 Q01650 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL27862141 0.90 KIF11 (0.47) GRIN2BMAPTEPHX2CCR6KCNH2
SCHEMBL168125 0.90 KIF11 (0.47) GRIN2BMAPTEPHX2CCR6KCNH2
SCHEMBL8113103 0.88 GRIN2B (0.42) GRIN2BMAPTEPHX2CCR6KCNH2
Methyl Alcohol SCHEMBL27964960 0.88 CCR6 (0.47) GRIN2BMAPTEPHX2CCR6KCNH2
SCHEMBL29087324 0.87 KIF11 (0.46) GRIN2BMAPTEPHX2CCR6KCNH2
Ammonia Solution, Strong SCHEMBL2163079 0.87 KIF11 (0.46) GRIN2BMAPTEPHX2CCR6KCNH2
Fluoride SCHEMBL28371495 0.87 KIF11 (0.46) GRIN2BMAPTEPHX2CCR6KCNH2
Hydrogen Sulfide SCHEMBL27539287 0.87 KIF11 (0.46) GRIN2BMAPTEPHX2CCR6KCNH2
SCHEMBL4036809 0.87 KIF11 (0.46) GRIN2BMAPTEPHX2CCR6KCNH2
Water SCHEMBL27610464 0.87 KIF11 (0.46) GRIN2BMAPTEPHX2CCR6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO (US) 2024-04-23 US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO 2022-08-16 US disclosed
US-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2020-09-10 US disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
EP-3394032-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES The University of Chicago (US) 2018-10-31 EP disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
WO-2017112678-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES MCLEOD RIMA (US) 2017-06-29 WO disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6291511-B1 Biarylalkanoic acids as cell adhesion inhibitors MERCK & CO., INC. 2001-09-18 US disclosed
WO-2001036423-A1 SPIRO(2H-1-BENZOPYRAN-2,4'-PIPERIDINE) DERIVATES AS GLYCINE TRANSPORT INHIBITORS AKZO NOBEL N.V. (NL) 2001-05-25 WO disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
EP-1017382-A4 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2000-08-30 EP disclosed
EP-1019410-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2000-07-19 EP disclosed
EP-1017382-A1 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-07-12 EP disclosed
US-6060469-A Spiro-piperidine derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-05-09 US disclosed
WO-1998053817-A1 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 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 (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-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB GRIN2B 4140/4885MAPT 2969/4885EPHX2 531/4885
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB GRIN2B 4201/4885MAPT 2933/4885EPHX2 423/4885
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB GRIN2B 4201/4885MAPT 2933/4885EPHX2 423/4885
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB GRIN2B 4140/4885MAPT 2969/4885EPHX2 531/4885
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 GRIN2B 516/4885MAPT 3627/4885EPHX2 599/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 GRIN2B 3931/4885MAPT 4436/4885EPHX2 199/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR GRIN2B 551/4885MAPT 3477/4885EPHX2 609/4885

“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.