SCHEMBL2498562

SCHEMBL2498562

O=S1(=O)c2ccccc2N(c2ccccc2)c2ccc(C=Cc3ccc(-c4ccc(C=Cc5ccc6c(c5)S(=O)(=O)c5ccccc5N6c5ccccc5)cc4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
MAOA P21397 1/20 0.35
NR1H3 Q13133 2/20 0.35
PTPN1 P18031 1/20 0.33
LMNA P02545 4/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
RELA Q04206 1/20 0.32
APP P05067 1/20 0.32
SNCA P37840 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
HDAC2 Q92769 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL2498560 1.00 RXFP1 (0.37) RXFP1MAOANR1H3PTPN1LMNA
SCHEMBL2500803 0.85 RXFP1 (0.40) RXFP1MAOALMNAMAPTTP53
SCHEMBL2500073 0.83 MAOA (0.51) RXFP1MAOALMNAMAPTTP53
SCHEMBL2500070 0.83 MAOA (0.51) RXFP1MAOALMNAMAPTTP53
SCHEMBL2494201 0.81 MAPT (0.36) RXFP1MAOANR1H3LMNAMAPT
SCHEMBL2494203 0.81 MAPT (0.36) RXFP1MAOANR1H3LMNAMAPT
SCHEMBL12190854 0.79 RXFP1 (0.46) RXFP1MAOALMNAMAPTTP53
SCHEMBL2498455 0.79 RXFP1 (0.53) RXFP1LMNAMAPTTP53KMT2A
SCHEMBL21666686 0.78 RXFP1 (0.46) RXFP1MAOALMNAMAPTTP53
SCHEMBL2500187 0.74 PTGS2 (0.39) MAOAMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RXFP1 4687/4885MAOA 82/4885NR1H3 1193/4885

“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.