SCHEMBL2500187

SCHEMBL2500187

O=S1(=O)c2cc(C=C(c3ccccc3)c3ccccc3)ccc2N(c2ccccc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.39
CYP19A1 P11511 2/20 0.37
CYP11B2 P19099 2/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.31
MAOA P21397 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2497089 0.84 MAOA (0.45) PTGS2CYP19A1CYP11B2ESR1MAOA
SCHEMBL2500803 0.77 RXFP1 (0.40) MAOAMEN1ALDH1A1MAPTKMT2A
SCHEMBL2495862 0.77 CYP19A1 (0.39) PTGS2CYP19A1CYP11B2ESR1ESR2
SCHEMBL2498562 0.74 RXFP1 (0.37) MAOAMAPTKMT2A
SCHEMBL2498560 0.74 RXFP1 (0.37) MAOAMAPTKMT2A
SCHEMBL2500785 0.72 MAOA (0.47) PTGS2ESR1ESR2MAOAALDH1A1
SCHEMBL2500787 0.72 MAOA (0.47) PTGS2ESR1ESR2MAOAALDH1A1
SCHEMBL2498455 0.69 RXFP1 (0.53) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL8192034 0.69 PTGS2 (0.44) PTGS2CYP19A1CYP11B2MEN1ALDH1A1
SCHEMBL21666686 0.69 RXFP1 (0.46) MAOAMEN1ALDH1A1MAPTKMT2A

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 PTGS2 221/4885CYP19A1 1476/4885CYP11B2 463/4885

“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.