SCHEMBL3969979

SCHEMBL3969979

CN1CCSc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAOA P21397 1/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 3/20 0.42
GAA P10253 2/20 0.42
INMT O95050 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL9142016 0.88 NOTUM (0.49) NOTUMKDM4EALDH1A1ALOX15CASP1
SCHEMBL9628981 0.86 NOTUM (0.47) NOTUMKDM4EALDH1A1ALOX15CASP1
SCHEMBL627227 0.78 MAOA (0.46) NOTUMKDM4EALDH1A1MAOAMAPT
Hydrochloric Acid SCHEMBL11512355 0.77 MAOA (0.45) NOTUMKDM4EALDH1A1MAOAMAPT
Iodide SCHEMBL9188780 0.77 MAOA (0.45) NOTUMKDM4EALDH1A1MAOAMAPT
Bromide SCHEMBL9694609 0.77 MAOA (0.45) NOTUMKDM4EALDH1A1MAOAMAPT
Iodide SCHEMBL2234376 0.77 MAOA (0.45) NOTUMKDM4EALDH1A1MAOAMAPT
SCHEMBL7561562 0.76 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPTTP53
SCHEMBL7258139 0.76 POLB (0.50) NOTUMKDM4EALDH1A1MAPTTP53
SCHEMBL3315465 0.75 NOTUM (0.51) NOTUMKDM4EALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024033479-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2024-02-15 WO disclosed
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 US disclosed
US-11697695-B2 Polymerizable composition and optically anisotropic body using same DIC CORPORATION (JP) 2023-07-11 US disclosed
US-11697695-B2 Polymerizable composition and optically anisotropic body using same DIC CORPORATION (JP) 2023-07-11 US disclosed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
WO-2023011656-A1 FLUORESCENT DYE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
WO-2023011657-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
WO-2023011658-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
US-11186669-B2 Polymerizable composition and optically anisotropic body using same DIC CORPORATION (JP) 2021-11-30 US disclosed
US-20210284766-A1 RETARDATION FILM, ELLIPTICALLY POLARIZING PLATE, AND DISPLAY DEVICE INCLUDING THE SAME DIC CORPORATION (JP) 2021-09-16 US disclosed
US-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LIMITED (IN) 2007-05-10 US disclosed
US-7183304-B2 such as (R)-1-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-benzenesulfonyl}-azetidine-2-carboxylic acid, used as peroxisome proliferator-activated receptor agonists; hypoglycemic agents NOVARTIS AG (CH) 2007-02-27 US disclosed
US-20070031336-A1 3H-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof NOVARTIS AG (CH) 2007-02-08 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
EP-1658294-B1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF NOVARTIS AG (CH) 2007-01-10 EP disclosed
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X NOVARTIS AG (CH) 2007-01-04 US disclosed
EP-1658294-A1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF Novartis AG (CH) 2006-05-24 EP disclosed
US-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 US disclosed
WO-2005016934-A1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF NOVARTIS AG (CH) 2005-02-24 WO disclosed
WO-2003055856-A2 BICYCLIC LACTAM DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-10 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 (6 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-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 NOTUM 3584/4885KDM4E 3941/4885ALDH1A1 3102/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS NOTUM 4275/4885KDM4E 3623/4885ALDH1A1 3672/4885
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X PPARG, GPR119, PPARA NOTUM 3964/4885KDM4E 1746/4885ALDH1A1 845/4885
US-20070031336-A1 3H-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof PSEN1, PSEN2, CHRM5 NOTUM 3396/4885KDM4E 2578/4885ALDH1A1 4429/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 NOTUM 2402/4885KDM4E 4457/4885ALDH1A1 2163/4885
US-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes GPR119, PPARG, FABP4 NOTUM 2047/4885KDM4E 3041/4885ALDH1A1 259/4885

“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.