SCHEMBL758335

SCHEMBL758335

O/N=C/c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.69
GRIN1 Q05586 3/20 0.59
GRIN2B Q13224 3/20 0.59
GRIN2D O15399 2/20 0.59
GRIN3B O60391 2/20 0.59
GRIN2A Q12879 2/20 0.59
GRIN2C Q14957 2/20 0.59
GRIN3A Q8TCU5 2/20 0.59
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 3/20 0.51
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL758336 1.00 CHRM5 (0.69) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL2009972 1.00 CHRM5 (0.69) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL28407097 0.98 CHRM5 (0.67) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL5666139 0.84 KDM4E (0.58) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL5666137 0.84 KDM4E (0.58) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL11749513 0.82 CHRM5 (1.00) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL1613845 0.78 CHRM5 (0.69) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL5213059 0.78 CHRM5 (0.69) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL2164986 0.77 HTT (0.43) CHRM5MAPTKMT2AMEN1CYP1A2
SCHEMBL2164984 0.77 HTT (0.43) CHRM5MAPTKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998005630-A1 PROCESS FOR THE PREPARATION OF ORGANIC NITRILES ALLIEDSIGNAL INC. (US) 1998-02-12 WO claimed
CN-113582937-B Green preparation method of isoxazole compound participated in by water-soluble vitamin E 浙江工业大学 2023-05-23 CN disclosed
CN-113087722-B Tricyclic isoxazole compound and preparation method and application thereof 中国人民解放军海军军医大学 2023-04-28 CN disclosed
CN-110845486-B Triazole alcohol derivative and preparation method and application thereof 中国人民解放军第二军医大学 2023-03-21 CN disclosed
CN-115190901-A Carbodiimide composition, curing agent composition, coating composition, and resin cured product 旭化成株式会社 2022-10-14 CN disclosed
CN-113582937-A Green preparation method of water-soluble vitamin E-involved isoxazole compound 浙江工业大学 2021-11-02 CN disclosed
CN-109438471-B Tricyclic isoxazole compound and preparation method and application thereof 中国人民解放军第二军医大学 2021-09-17 CN disclosed
CN-113087722-A Tricyclic isoxazole compound and preparation method and application thereof 中国人民解放军海军军医大学 2021-07-09 CN disclosed
CN-110845486-A Triazole alcohol derivative and preparation method and application thereof 中国人民解放军第二军医大学 2020-02-28 CN disclosed
CN-109438471-A tricyclic isoxazole compound and preparation method and application thereof 中国人民解放军第二军医大学 2019-03-08 CN disclosed
CN-1863920-A Conjugation of peptides NOVO NORDISK AS (DK) 2006-11-15 CN disclosed
EP-1673464-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2006-06-28 EP disclosed
CN-1259318-C Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient DAINIPPON INK & CHEMICALS (JP) 2006-06-14 CN disclosed
WO-2005035553-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2005-04-21 WO disclosed
CN-1553907-A Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient ���ձ���ī��ѧ��ҵ��ʽ���� 2004-12-08 CN disclosed
US-20030216386-A1 Isoxazoles and oxadiazoles as anti-inflammatory inhibitors of IL-8 WEIDNER-WELLS MICHELE A (US) 2003-11-20 US disclosed
US-6579880-B2 Converting a benzaldehyde compound to an oxime in presence of hydroxylamine/hydrochloric acid and pyridine in methylene chloride, converting to intermediateand racting it with methoxyphenyl acetylene to form intermediate then final comp ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 US disclosed
US-20020049213-A1 Isoxazoles and oxadiazoles as anti-inflammatory inhibitors of IL-8 ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-04-25 US disclosed
WO-1998005630-A1 PROCESS FOR THE PREPARATION OF ORGANIC NITRILES ALLIEDSIGNAL INC. (US) 1998-02-12 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-20030216386-A1 Isoxazoles and oxadiazoles as anti-inflammatory inhibitors of IL-8 CXCL8, IL18, IL1B CHRM5 4033/4885GRIN1 1496/4885GRIN2B 2791/4885
US-20020049213-A1 Isoxazoles and oxadiazoles as anti-inflammatory inhibitors of IL-8 CXCL8, IL18, IL1B CHRM5 4033/4885GRIN1 1496/4885GRIN2B 2791/4885

“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.