SCHEMBL7785362

SCHEMBL7785362

C=c1ccc2c(c1)Sc1ccccc1N=2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
TRPA1 O75762 1/20 0.38
DRD2 P14416 5/20 0.35
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 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
SCHEMBL21062863 0.81 TRPA1 (0.40) BACE1TRPA1DRD2LMNACHRM2
SCHEMBL21062864 0.81 TRPA1 (0.40) BACE1TRPA1DRD2LMNACHRM2
SCHEMBL29352703 0.81 TRPA1 (0.45) BACE1TRPA1DRD2LMNACHRM2
SCHEMBL54919 0.81 TRPA1 (0.45) BACE1TRPA1DRD2LMNACHRM2
SCHEMBL15704720 0.78 MEN1 (0.34) ADRA2AADRA2BADRA2CCHRM3SLC6A2
SCHEMBL14292346 0.74 SNCA (0.34)
SCHEMBL30004254 0.74 BACE1 (0.44) BACE1TRPA1DRD2LMNACHRM2
SCHEMBL14261898 0.71 DRD2 (0.32) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL16556384 0.68 ACHE (0.33)
SCHEMBL15215946 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704535-B1 Mediators suitable for the electrochemical regeneration of NADH, NADPH or analogs thereof BAYER AG (US) 2001-11-28 EP claimed
EP-0704535-A2 Mediators suitable for the electrochemical regeneration of NADH, NADPH or analogs thereof Bayer Corporation (US) 1996-04-03 EP claimed
US-5498542-A Electrode mediators for regeneration of NADH and NADPH BAYER CORPORATION (US) 1996-03-12 US claimed
JP-8100284-A None JP disclosed
US-20230277863-A1 Use Of Photosensitizers For Treatment Of Viral Respiratory Infections ARENTZ JOCHEN (DE) 2023-09-07 US disclosed
EP-0704535-B1 Mediators suitable for the electrochemical regeneration of NADH, NADPH or analogs thereof BAYER AG (US) 2001-11-28 EP disclosed
JP-H08100284-A MEDIATOR FOR ELECTROCHEMICAL REGENERATION OF NADH, NADPH OR THEIR ANALOGUE BAYER CORP 1996-04-16 JP disclosed
EP-0704535-A2 Mediators suitable for the electrochemical regeneration of NADH, NADPH or analogs thereof Bayer Corporation (US) 1996-04-03 EP disclosed
EP-0704535-A2 Mediators suitable for the electrochemical regeneration of NADH, NADPH or analogs thereof Bayer Corporation (US) 1996-04-03 EP disclosed
US-5498542-A Electrode mediators for regeneration of NADH and NADPH BAYER CORPORATION (US) 1996-03-12 US disclosed
US-5498542-A Electrode mediators for regeneration of NADH and NADPH BAYER CORPORATION (US) 1996-03-12 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-20230277863-A1 Use Of Photosensitizers For Treatment Of Viral Respiratory Infections PPOX, TMPRSS4, TMPRSS2 BACE1 2036/4885TRPA1 205/4885DRD2 2223/4885

“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.