SCHEMBL5458028

SCHEMBL5458028

CC(=O)Nc1ccc(NC(N)=S)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GAA P10253 2/20 0.60
ALDH1A1 P00352 7/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.59
TSHR P16473 2/20 0.59
CYP3A4 P08684 2/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
BRD4 O60885 1/20 0.59
NR1I2 O75469 1/20 0.59
MB P02144 1/20 0.59
CYP1A1 P04798 1/20 0.59
CA3 P07451 1/20 0.59

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
SCHEMBL30753834 0.89 ALDH1A1 (0.50) SMN1; SMN2HTTL3MBTL1GAAALDH1A1
SCHEMBL11718858 0.86 SMN1; SMN2 (0.67) SMN1; SMN2HTTL3MBTL1GAAALDH1A1
SCHEMBL5459330 0.84 ALDH1A1 (0.62) L3MBTL1GAAALDH1A1KMT2AMAPT
SCHEMBL29654057 0.84 ALDH1A1 (0.62) L3MBTL1GAAALDH1A1KMT2AMAPT
Acetaminophen SCHEMBL9696436 0.83 ALDH1A1 (0.80) SMN1; SMN2HTTL3MBTL1GAAALDH1A1
SCHEMBL861674 0.83 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1GAAALDH1A1
SCHEMBL2306600 0.83 L3MBTL1 (0.57) SMN1; SMN2HTTL3MBTL1GAAALDH1A1
SCHEMBL1880013 0.83 RAB9A (0.57) SMN1; SMN2HTTL3MBTL1GAAALDH1A1
SCHEMBL725810 0.83 ALDH1A1 (0.75) SMN1; SMN2L3MBTL1GAAALDH1A1KMT2A
SCHEMBL11925383 0.82 SMN1; SMN2 (0.67) SMN1; SMN2HTTL3MBTL1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117545480-A Dithiazole derivatives as inhibitors of lysyl oxidase 南卡罗来纳大学 2024-02-09 CN disclosed
US-11712437-B2 Inhibitors of lysyl oxidases UNIVERSITY OF SOUTH CAROLINA (US) 2023-08-01 US disclosed
US-11712437-B2 Inhibitors of lysyl oxidases UNIVERSITY OF SOUTH CAROLINA (US) 2023-08-01 US disclosed
US-20220378753-A1 NOVEL INHIBITORS OF LYSYL OXIDASES UNIVERSITY OF SOUTH CAROLINA (US) 2022-12-01 US disclosed
CN-113004219-A Thiazole ring-containing amide compound and preparation method and application thereof 贵州大学 2021-06-22 CN disclosed
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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-20220378753-A1 NOVEL INHIBITORS OF LYSYL OXIDASES LOXL1, LOXL2, LOXL4 SMN1; SMN2 1679/4885HTT 2952/4885L3MBTL1 12/4885
US-11712437-B2 Inhibitors of lysyl oxidases LOXL1, LOXL2, LOXL4 SMN1; SMN2 1726/4885HTT 2758/4885L3MBTL1 14/4885

“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.