SCHEMBL4333682

SCHEMBL4333682

N#Cc1ccc(-c2ccccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
KIF11 P52732 2/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
MMP3 P08254 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDK2 Q15119 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
AR P10275 1/20 0.43
MAOB P27338 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL31245798 1.00 CYP11B1 (0.47) CYP11B1CYP11B2TSHRPTGS1KIF11
Ethyne SCHEMBL28213903 0.96 CYP11B1 (0.45) CYP11B1CYP11B2TSHRPTGS1KIF11
SCHEMBL16945906 0.85 PTPRC (0.44) CYP11B1CYP11B2PTGS1KIF11GABRG2
SCHEMBL31463164 0.84 TSHR (0.57) CYP11B2TSHRPTGS1KIF11GABRG2
SCHEMBL7060500 0.84 BCAT1 (0.45) CYP11B1CYP11B2TSHRPTGS1KIF11
SCHEMBL12856701 0.82 PTPRC (0.56) ALDH1A1MAPTL3MBTL1PDK2PTPRC
SCHEMBL10304838 0.81 CYP11B2 (0.42) CYP11B1CYP11B2PTGS1KIF11GABRG2
SCHEMBL3422469 0.80 TSHR (0.59) CYP11B2TSHRKIF11GABRG2GABRB3
SCHEMBL19308493 0.80 KIF11 (0.54) CYP11B1CYP11B2TSHRPTGS1KIF11
SCHEMBL18499494 0.80 KIF11 (0.54) CYP11B1CYP11B2TSHRPTGS1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1633287-A Biphenil derivatives and their use as antiandrogenic agents ENDORECH INC (CA) 2005-06-29 CN claimed
US-5714087-A CONTAINING LIQUID CRYSTAL MIXTURE OF SPECIFIED COMPONENTS INCLUDING OPTICALLY ACTIVE COMPONENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-02-03 US claimed
EP-0713515-B1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1997-11-26 EP claimed
EP-0713515-A1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GmbH (DE) 1996-05-29 EP claimed
WO-1995004789-A1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1995-02-16 WO claimed
US-11179710-B2 Direct palladium-catalyzed aromatic fluorination PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-23 US disclosed
US-11179710-B2 Direct palladium-catalyzed aromatic fluorination PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-23 US disclosed
EP-3426654-B1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION HARVARD COLLEGE (US) 2021-10-20 EP disclosed
EP-3426654-B1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION HARVARD COLLEGE (US) 2021-10-20 EP disclosed
US-20190099748-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-04-04 US disclosed
US-20190099748-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-04-04 US disclosed
EP-3426654-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION President and Fellows of Harvard College (US) 2019-01-16 EP disclosed
WO-2014094949-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2013004333-A1 BIMESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-01-10 WO disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
CN-1633287-A Biphenil derivatives and their use as antiandrogenic agents ENDORECH INC (CA) 2005-06-29 CN disclosed
US-5714087-A CONTAINING LIQUID CRYSTAL MIXTURE OF SPECIFIED COMPONENTS INCLUDING OPTICALLY ACTIVE COMPONENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-02-03 US disclosed
EP-0713515-B1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1997-11-26 EP disclosed
EP-0713515-A1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GmbH (DE) 1996-05-29 EP disclosed
WO-1995004789-A1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1995-02-16 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 (3 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 CYP11B1 268/4885CYP11B2 321/4885TSHR 408/4885
US-11179710-B2 Direct palladium-catalyzed aromatic fluorination KRAS, NRAS, DDT CYP11B1 1715/4885CYP11B2 1550/4885TSHR 203/4885
US-20190099748-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION KRAS, NRAS, DDT CYP11B1 1715/4885CYP11B2 1550/4885TSHR 203/4885

“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.