SCHEMBL2497091

SCHEMBL2497091

C(=C/c1ccc2c(c1)Sc1ccccc1N2c1ccccc1)\c1ccc(-c2ccc(/C=C/c3ccc4c(c3)Sc3ccccc3N4c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
BCHE P06276 4/20 0.40
NOX1 Q9Y5S8 3/20 0.37
MEN1 O00255 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 1/20 0.35
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
RELA Q04206 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL2497092 1.00 HDAC6 (0.43) HDAC6BCHENOX1MEN1ADRA2A
SCHEMBL17485919 0.87 BCHE (0.41) HDAC6BCHEMAOARELANR1H3
SCHEMBL13965207 0.86 NOX1 (0.40) HDAC6BCHENOX1MEN1ADRA2A
SCHEMBL10331700 0.83 HDAC6 (0.46) HDAC6BCHENOX1MEN1ADRA2A
SCHEMBL2496482 0.82 HDAC6 (0.44) HDAC6BCHENOX1MEN1ADRA2A
SCHEMBL2504484 0.82 MAOA (0.58) BCHENOX1MEN1ADRA2AADRA2B
SCHEMBL2504486 0.82 MAOA (0.58) BCHENOX1MEN1ADRA2AADRA2B
SCHEMBL14461277 0.82 HDAC6 (0.35) HDAC6BCHENOX1MEN1ADRA2A
SCHEMBL14462117 0.82 MEN1 (0.37) HDAC6BCHENOX1MEN1ADRA2A
SCHEMBL13917854 0.81 HDAC6 (0.49) HDAC6BCHENOX1L3MBTL1FNTA

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
EP-1817806-B1 PHENOTHAZINES-S-OXIDES AND S,S-DIOXIDES AS hole and excitonblockers for OLEDs BASF SE (DE) 2014-07-30 EP 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-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-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
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
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
EP-1817806-A1 PHENOTHAZINES, -S-OXIDES, AND S,S-DIOXIDES AS WELL AS PHENOXAZINES AS EMITTERS FOR OLEDS BASF AKTIENGESELLSCHAFT (DE) 2007-08-15 EP disclosed
WO-2006056465-A1 PHENOTHIAZINES, -S-OXIDES, AND S,S-DIOXIDES AS WELL AS PHENOXAZINES AS EMITTERS FOR OLEDS BASF AKTIENGESELLSCHAFT (DE) 2006-06-01 WO 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.