SCHEMBL3208630

SCHEMBL3208630

COC(COc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br)OC

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.69
ADRA2A P08913 1/20 0.45
ADRA1D P25100 1/20 0.45
LMNA P02545 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL3208873 0.86 HRH3 (0.72) HRH3LMNANAMPT
SCHEMBL13486634 0.84 HRH3 (0.79) HRH3ADRA2AADRA1D
SCHEMBL13486632 0.82 HRH3 (0.70) HRH3ADRA2AADRA1D
SCHEMBL3198787 0.82 HRH3 (1.00) HRH3ADRA2AADRA1D
SCHEMBL3202814 0.81 HRH3 (1.00) HRH3ADRA2AADRA1D
SCHEMBL3204557 0.77 HRH3 (1.00) HRH3
SCHEMBL3200770 0.77 HRH3 (1.00) HRH3
SCHEMBL3203607 0.77 HRH3 (0.61) HRH3LMNA
SCHEMBL13574993 0.75 HRH3 (0.41) HRH3
SCHEMBL3190517 0.74 HRH3 (1.00) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY 2010-02-11 US disclosed
US-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY 2010-02-11 US disclosed
US-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY 2010-02-11 US disclosed
WO-2009152071-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY (US) 2009-12-17 WO disclosed
WO-2009152071-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY (US) 2009-12-17 WO 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-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF HRH3, HRH4, HRH1 HRH3 1/4885ADRA2A 252/4885ADRA1D 437/4885

“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.