SCHEMBL3354553

SCHEMBL3354553

NC(=O)c1ccc2ccsc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
CHRNA7 P36544 4/20 0.45
HTR3A P46098 3/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
PARP1 P09874 2/20 0.42
DYRK1A Q13627 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
PLAU P00749 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 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
SCHEMBL29503162 1.00 LCK (0.48) LCKCHRNA7HTR3AHTR3EHTR3B
SCHEMBL3352794 0.85 CTNNB1 (0.57) LCKCHRNA7HTR3APARP1DYRK1A
SCHEMBL29503181 0.85 CTNNB1 (0.57) LCKCHRNA7HTR3APARP1DYRK1A
SCHEMBL1891764 0.82 MRGPRX4 (0.55) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL30445266 0.82 MRGPRX4 (0.55) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL5591790 0.81 PLAU (0.50) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL19756724 0.81 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL3797885 0.81 CA2 (0.49) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL31483491 0.81 MRGPRX4 (0.54) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL9431571 0.79 PLAU (0.48) PLAU

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118715206-A Novel HDAC inhibitors and therapeutic uses thereof 探戈医药股份有限公司 2024-09-27 CN disclosed
CN-114075189-A Five-membered heterocyclic acene ring compound and preparation method and medical application thereof 南京柯菲平盛辉制药有限公司 2022-02-22 CN disclosed
EP-3394052-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-10-31 EP disclosed
WO-2017108282-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2017-06-29 WO disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (1 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-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP LCK 4627/4885CHRNA7 204/4885HTR3A 2287/4885

“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.