SCHEMBL6313879

SCHEMBL6313879

CCN(CC)CCC(=O)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.65
ACHE P22303 4/20 0.64
HRH2 P25021 2/20 0.62
HTR2A P28223 2/20 0.62
SLC6A3 Q01959 2/20 0.62
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
HTR1A P08908 1/20 0.62
CHRM5 P08912 1/20 0.62
CHRM1 P11229 1/20 0.62
ADRA2C P18825 1/20 0.62
CHRM3 P20309 1/20 0.62
HTR1D P28221 1/20 0.62
HTR2C P28335 1/20 0.62
HRH1 P35367 1/20 0.62
DRD3 P35462 1/20 0.62
HTR2B P41595 1/20 0.62
HTR3A P46098 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
POLB P06746 2/20 0.60

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
Hydrochloric Acid SCHEMBL5499595 0.99 BCHE (0.66) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL30719025 0.89 ALDH1A1 (0.77) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL309939 0.89 ALDH1A1 (0.77) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL29388455 0.89 ALDH1A1 (0.77) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL11614590 0.88 ALDH1A1 (0.79) BCHEACHEHRH2HTR2ASLC6A3
Chloracyzine SCHEMBL1650585 0.87 ALDH1A1 (0.74) BCHEACHEHRH2HTR2ASLC6A3
Fluacizine SCHEMBL29388364 0.86 MEN1 (0.61) BCHEACHESLC6A3CHRM2HTR1A
Fluacizine SCHEMBL49497 0.86 MEN1 (0.61) BCHEACHESLC6A3CHRM2HTR1A
SCHEMBL7350072 0.85 BCHE (0.63) BCHEACHEHRH2HTR2ASLC6A3
Fluacizine SCHEMBL1650048 0.84 MEN1 (0.59) BCHEACHESLC6A3CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2021-03-09 US disclosed
US-20180207160-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2018-07-26 US disclosed
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2017-08-03 US disclosed
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2017-08-03 US disclosed
US-6916661-B2 Microparticles with multiple fluorescent signals and methods of using same LUMINEX CORPORATION (US) 2005-07-12 US disclosed
US-20040087032-A1 Microparticles with multiple fluorescent signals and methods of using same CHANDLER MARK B (US) 2004-05-06 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 (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-20180207160-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 HSPB1, HSP90B1, HSP90AB1 BCHE 4761/4885ACHE 4544/4885HRH2 657/4885
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 HSPB1, HSP90AB2P, HSP90B1 BCHE 4854/4885ACHE 4859/4885HRH2 275/4885
US-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 HSPB1, HSP90B1, HSP90AB1 BCHE 4761/4885ACHE 4544/4885HRH2 657/4885

“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.