SCHEMBL21222331

SCHEMBL21222331

COc1ccc2c(c1)c(-c1ccccc1)cn2S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR2A P28223 4/20 0.52
DRD2 P14416 4/20 0.52
HTR7 P34969 3/20 0.52
HTR1A P08908 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR1E P28566 1/20 0.52
HTR1F P30939 1/20 0.52
DRD3 P35462 1/20 0.52
PPARG P37231 2/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51

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
SCHEMBL19737474 0.91 HTR6 (0.51) HTR6L3MBTL1HTR2ADRD2HTR7
SCHEMBL19737472 0.89 HTR6 (0.66) HTR6L3MBTL1HTR2ADRD2HTR7
SCHEMBL19737629 0.85 HTR6 (0.58) HTR6L3MBTL1HTR2ADRD2HTR7
Dimethylamine SCHEMBL21222407 0.85 HTR6 (0.65) HTR6L3MBTL1HTR2ADRD2HTR7
SCHEMBL13302225 0.83 HTR6 (0.57) HTR6HTR2ADRD2HTR7HTR1A
SCHEMBL21222635 0.83 HTR6 (0.55) HTR6L3MBTL1
SCHEMBL14406219 0.80 HTR6 (0.72) HTR6L3MBTL1HTR2ADRD2HTR7
SCHEMBL6097457 0.80 HTR6 (0.45) HTR6HTR2ADRD2HTR7HTR1A
SCHEMBL13302272 0.79 HTR6 (0.62) HTR6L3MBTL1HTR2ADRD2HTR7
SCHEMBL19737372 0.79 HTR6 (0.64) HTR6HTR2ADRD2HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689342-B2 Aza-tanshinone derivatives, process for their preparation and their use in therapy UNIVERSITA' DEGLI STUDI DI TRENTO (IT) 2020-06-23 US disclosed
US-10689342-B2 Aza-tanshinone derivatives, process for their preparation and their use in therapy UNIVERSITA' DEGLI STUDI DI TRENTO (IT) 2020-06-23 US disclosed
US-20190241516-A1 AZA-TANSHINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY UNIVERSITA' DEGLI STUDI DI TRENTO (IT) 2019-08-08 US disclosed
US-20190241516-A1 AZA-TANSHINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY UNIVERSITA' DEGLI STUDI DI TRENTO (IT) 2019-08-08 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 (2 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-20190241516-A1 AZA-TANSHINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY AZI2, TPMT, TYMS HTR6 1922/4885L3MBTL1 4885/4885HTR2A 2850/4885
US-10689342-B2 Aza-tanshinone derivatives, process for their preparation and their use in therapy AZI2, TPMT, TYMS HTR6 1922/4885L3MBTL1 4885/4885HTR2A 2850/4885

“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.