SCHEMBL13633887

SCHEMBL13633887

O=S(=O)(Nc1cccc2cccnc12)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.65
ALDH1A1 P00352 2/20 0.65
OPRK1 P41145 2/20 0.65
HTT P42858 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
USP2 O75604 1/20 0.65
ALOX15 P16050 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
GLO1 Q04760 9/20 0.63
SLC40A1 Q9NP59 8/20 0.63
AGTR1 P30556 2/20 0.63
NFKBIA P25963 2/20 0.63
G6PD P11413 1/20 0.63
METAP2 P50579 1/20 0.63
METAP1 P53582 1/20 0.63
PAX8 Q06710 1/20 0.63
ATM Q13315 1/20 0.63
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
MITF O75030 1/20 0.62

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
SCHEMBL13485935 0.87 TDP1 (0.81) TDP1ALDH1A1OPRK1HTTNPSR1
SCHEMBL13485931 0.87 SLC40A1 (0.60) TDP1ALDH1A1OPRK1HTTNPSR1
SCHEMBL22076982 0.79 TDP1 (1.00) TDP1ALDH1A1OPRK1HTTNPSR1
SCHEMBL442367 0.78 SLC40A1 (1.00) TDP1ALDH1A1OPRK1HTTNPSR1
SCHEMBL13485943 0.78 GLO1 (0.67) TDP1ALDH1A1OPRK1HTTNPSR1
SCHEMBL27214161 0.78 GLO1 (0.51) TDP1ALDH1A1OPRK1HTTNPSR1
SCHEMBL30925436 0.78 GLO1 (0.51) TDP1ALDH1A1OPRK1HTTNPSR1
SCHEMBL3825367 0.77 TDP1 (1.00) TDP1ALDH1A1OPRK1HTTNPSR1
SCHEMBL13638616 0.77 SLC40A1 (0.76) TDP1ALDH1A1OPRK1HTTNPSR1
SCHEMBL6978005 0.77 GLO1 (1.00) TDP1ALDH1A1OPRK1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 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 (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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A TDP1 83/4885ALDH1A1 802/4885OPRK1 4751/4885

“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.