SCHEMBL2496482

SCHEMBL2496482

O=Cc1ccc2c(c1)Sc1ccccc1N2c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
BCHE P06276 7/20 0.39
NOX1 Q9Y5S8 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 3/20 0.37
MAOA P21397 1/20 0.37
ALDH1A3 P47895 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 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
SCHEMBL2498958 0.95 HDAC6 (0.38) HDAC6MEN1KMT2AL3MBTL1ALDH1A3
SCHEMBL30932461 0.85 TRIM24 (0.39) HDAC6MEN1KMT2AALDH1A3ALDH1A1
SCHEMBL7210449 0.85 HDAC6 (0.54) HDAC6BCHENOX1ACHEMAOA
SCHEMBL29229302 0.85 TRIM24 (0.39) HDAC6MEN1KMT2AALDH1A3ALDH1A1
SCHEMBL2497092 0.82 HDAC6 (0.43) HDAC6BCHENOX1MEN1KMT2A
SCHEMBL2497091 0.82 HDAC6 (0.43) HDAC6BCHENOX1MEN1KMT2A
SCHEMBL13965207 0.82 NOX1 (0.40) HDAC6BCHENOX1MEN1KMT2A
SCHEMBL1418367 0.81 MAOA (0.61) NOX1MEN1KMT2AADRA2AADRA2B
SCHEMBL28050075 0.81 NOX1 (0.41) BCHENOX1MEN1KMT2AADRA2A
SCHEMBL8185276 0.80 CYP2A6 (0.46) HDAC6MEN1KMT2AMAOAALDH1A3

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
WO-2023216122-A1 SINGLET OXYGEN TYPE PHOTOSENSITIZING MATERIAL HAVING AGGREGATION-INDUCED EMISSION PERFORMANCE, AND PREPARATION METHOD AND USE THEREFOR 华南理工大学 2023-11-16 WO disclosed
CN-113105445-B Singlet oxygen type photosensitizer material with aggregation-induced emission performance and preparation method and application thereof 华南理工大学 2022-05-24 CN disclosed
CN-113105445-A Singlet oxygen type photosensitizer material with aggregation-induced emission performance and preparation method and application thereof 华南理工大学 2021-07-13 CN disclosed
EP-1817806-B1 PHENOTHAZINES-S-OXIDES AND S,S-DIOXIDES AS hole and excitonblockers for OLEDs BASF SE (DE) 2014-07-30 EP disclosed
US-8029919-B2 Phenothiazines, S-oxides, and S,S-dioxides as well as phenoxazines as emitters for OLEDs BASF AKTIENGESELLSCHAFT (DE) 2011-10-04 US disclosed
US-20100308714-A1 Phenothiazines, S-Oxides, And S,S-Dioxides As Well As Phenoxazines As Emitters For Oleds BASF AKTIENGESELLSCHAFT (DE) 2010-12-09 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-20100308714-A1 Phenothiazines, S-Oxides, And S,S-Dioxides As Well As Phenoxazines As Emitters For Oleds PPOX, SMOX, SORD HDAC6 2567/4885BCHE 3606/4885NOX1 458/4885

“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.