SCHEMBL2500785

SCHEMBL2500785

C/C(=C\c1ccc2c(c1)S(=O)(=O)c1cc(/C=C(\C)c3ccccc3)ccc1N2C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
RARA P10276 2/20 0.36
RXRA P19793 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HDAC1 Q13547 1/20 0.34
NQO2 P16083 3/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
NOX1 Q9Y5S8 1/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RORC P51449 1/20 0.32

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
SCHEMBL2500787 1.00 MAOA (0.47) MAOARARBRARGRARARXRA
SCHEMBL2497089 0.87 MAOA (0.45) MAOAESR1PTGS2HPGDNOX1
SCHEMBL2498028 0.77 NOX1 (0.48) MAOARARBRARGRARARXRA
SCHEMBL2498026 0.77 NOX1 (0.48) MAOARARBRARGRARARXRA
SCHEMBL2503731 0.74 MAOA (0.55) MAOAHPGDMAPTALDH1A1
SCHEMBL2500187 0.72 PTGS2 (0.39) MAOAESR1ESR2PTGS2MAPT
SCHEMBL2500073 0.70 MAOA (0.51) MAOAHDAC1MAPT
SCHEMBL2500070 0.70 MAOA (0.51) MAOAHDAC1MAPT
SCHEMBL2495208 0.69 MAOA (0.49) MAOATSHR
SCHEMBL9144354 0.68 RARG (0.54) RARBRARGRARARXRAALDH1A1

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 7 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
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

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 MAOA 82/4885RARB 4075/4885RARG 3678/4885

“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.