SCHEMBL17835751

SCHEMBL17835751

O[C@@H](COC1CCCCO1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4C Q9H3R0 1/20 0.42
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL17844317 1.00 MEN1 (0.43) MEN1KMT2ASLC6A3KDM4CCYP2D6
SCHEMBL17844743 0.83 MEN1 (0.40) MEN1KMT2ASLC6A3KDM4CCYP2D6
SCHEMBL8319743 0.82 KDM4C (0.42) MEN1KMT2ASLC6A3KDM4CCYP2D6
SCHEMBL13970242 0.80 KDM4E (0.45) MEN1KMT2ASLC6A3KDM4CKDM4E
SCHEMBL17846160 0.80 MEN1 (0.41) MEN1KMT2ASLC6A3KDM4CLMNA
SCHEMBL6299639 0.80 KDM4C (0.44) MEN1KMT2AKDM4CKDM4E
SCHEMBL13460358 0.79 MEN1 (0.49) MEN1KMT2AKDM4CCYP2D6HIF1A
SCHEMBL10394025 0.79 MEN1 (0.39) MEN1KMT2ASLC6A3KDM4CCYP2D6
SCHEMBL10455908 0.77 SLC6A3 (0.46) MEN1KMT2ASLC6A3KDM4CCYP2D6
SCHEMBL8978498 0.77 SLC6A3 (0.46) MEN1KMT2ASLC6A3KDM4CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 EP disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 EP 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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB MEN1 4380/4885KMT2A 3963/4885SLC6A3 2739/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB MEN1 4380/4885KMT2A 3963/4885SLC6A3 2739/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB MEN1 4380/4885KMT2A 3963/4885SLC6A3 2739/4885

“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.