SCHEMBL4049047

SCHEMBL4049047

O/N=C/c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
GRIN2D O15399 2/20 0.59
GRIN3B O60391 2/20 0.59
GRIN1 Q05586 2/20 0.59
GRIN2A Q12879 2/20 0.59
GRIN2B Q13224 2/20 0.59
GRIN2C Q14957 2/20 0.59
GRIN3A Q8TCU5 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
AMY1A P0DUB6 1/20 0.53
HPGD P15428 3/20 0.50
TSHR P16473 2/20 0.50
GUSB P08236 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46

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
SCHEMBL29756954 1.00 MAPT (0.59) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2904660 1.00 MAPT (0.59) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2904656 1.00 MAPT (0.59) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5805555 0.83 TSHR (0.54) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5805553 0.83 TSHR (0.54) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30778025 0.83 TSHR (0.54) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7372200 0.81 TSHR (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17548943 0.81 TTR (0.63) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7372197 0.81 TSHR (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16881403 0.79 HPGD (0.51) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021117053-A1 AN IMPROVED PROCESS FOR PREPARATION OF PURE ALDOXIME DR. SILVIU PHARMACHEM PVT. LTD. (IN) 2021-06-17 WO claimed
CN-116082325-B Benzoxazinone compound containing isoxazole heterocycle, and preparation method and application thereof 浙江工业大学 2024-04-16 CN disclosed
CN-114957123-B 3- (difluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof 浙江工业大学 2023-11-28 CN disclosed
CN-114957124-B 3- (trifluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof 浙江工业大学 2023-11-07 CN disclosed
CN-116082325-A Benzoxazinone compound containing isoxazole heterocycle, and preparation method and application thereof 浙江工业大学 2023-05-09 CN disclosed
CN-114957123-A 3- (difluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof 浙江工业大学 2022-08-30 CN disclosed
CN-114957124-A 3- (trifluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof 浙江工业大学 2022-08-30 CN disclosed
CN-110483332-B Method for preparing 2, 6-dichlorobenzonitrile by 2, 6-dichlorobenzylamino iodination method 南京工业大学 2022-07-05 CN disclosed
CN-109970672-B Crystal form of high-purity thermostable substituted 3-isoxazolidinone compound, preparation method and application 浙江省诸暨合力化学对外贸易有限公司 2021-07-13 CN disclosed
WO-2021117053-A1 AN IMPROVED PROCESS FOR PREPARATION OF PURE ALDOXIME DR. SILVIU PHARMACHEM PVT. LTD. (IN) 2021-06-17 WO disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 US disclosed
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-08-03 US disclosed
WO-2006064484-A1 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 WO disclosed
US-7041689-B2 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2006-05-09 US disclosed
US-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2005-08-18 US disclosed
EP-1503998-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LTD. (GB) 2005-02-09 EP disclosed
WO-2003093252-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SULFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 WO disclosed
EP-0258391-A1 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE POULENC NEDERLAND B.V. (NL) 1988-03-09 EP disclosed
WO-1987004321-A2 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE-POULENC NEDERLANDS B.V. (NL) 1987-07-30 WO disclosed
US-4581365-A Trichloroacryloyl oxime fungicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-08 US 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 (2 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-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MAPT 392/4885GRIN2D 234/4885GRIN3B 223/4885
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MAPT 373/4885GRIN2D 158/4885GRIN3B 210/4885

“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.