SCHEMBL2497089

SCHEMBL2497089

CN1c2ccc(C=C(c3ccccc3)c3ccccc3)cc2S(=O)(=O)c2cc(C=C(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
PTGS2 P35354 5/20 0.43
CYP19A1 P11511 2/20 0.38
CYP11B2 P19099 2/20 0.38
ESR1 P03372 1/20 0.36
NOX1 Q9Y5S8 1/20 0.33
HPGD P15428 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
SCHEMBL2500787 0.87 MAOA (0.47) MAOAPTGS2ESR1NOX1HPGD
SCHEMBL2500785 0.87 MAOA (0.47) MAOAPTGS2ESR1NOX1HPGD
SCHEMBL2500187 0.84 PTGS2 (0.39) MAOAPTGS2CYP19A1CYP11B2ESR1
SCHEMBL2501589 0.77 NOX1 (0.49) MAOAPTGS2CYP19A1CYP11B2ESR1
SCHEMBL2503731 0.75 MAOA (0.55) MAOAHPGD
SCHEMBL12723325 0.73 PTGS2 (0.39) PTGS2CYP19A1CYP11B2ESR1
SCHEMBL2500073 0.71 MAOA (0.51) MAOA
SCHEMBL2500070 0.71 MAOA (0.51) MAOA
SCHEMBL2495208 0.70 MAOA (0.49) MAOA
SCHEMBL2121142 0.68 CYP19A1 (0.71) PTGS2CYP19A1CYP11B2ESR1HPGD

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 82/4885PTGS2 221/4885CYP19A1 1476/4885

“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.