SCHEMBL3825367

SCHEMBL3825367

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 1.00
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
GLO1 Q04760 8/20 0.76
SLC40A1 Q9NP59 8/20 0.76
AGTR1 P30556 2/20 0.76
NFKBIA P25963 2/20 0.76
G6PD P11413 1/20 0.76
METAP2 P50579 1/20 0.76
METAP1 P53582 1/20 0.76
PAX8 Q06710 1/20 0.76
ATM Q13315 1/20 0.76
ALDH1A1 P00352 2/20 0.75
OPRK1 P41145 2/20 0.75
HTT P42858 2/20 0.75
NPSR1 Q6W5P4 2/20 0.75
MITF O75030 1/20 0.75
S1PR4 O95977 1/20 0.75
LMNA P02545 1/20 0.75
MAPT P10636 1/20 0.75

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
SCHEMBL442367 0.87 SLC40A1 (1.00) TDP1KMT2AMEN1GLO1SLC40A1
SCHEMBL6980652 0.86 TDP1 (0.76) TDP1KMT2AMEN1GLO1SLC40A1
SCHEMBL29799662 0.86 TDP1 (1.00) TDP1KMT2AMEN1GLO1SLC40A1
SCHEMBL4471796 0.86 TDP1 (1.00) TDP1KMT2AMEN1GLO1SLC40A1
SCHEMBL13485950 0.86 SLC40A1 (0.80) TDP1KMT2AMEN1GLO1SLC40A1
SCHEMBL6978005 0.86 GLO1 (1.00) TDP1KMT2AMEN1GLO1SLC40A1
SCHEMBL6981081 0.86 SLC40A1 (1.00) TDP1KMT2AMEN1GLO1SLC40A1
SCHEMBL13638616 0.86 SLC40A1 (0.76) TDP1KMT2AMEN1GLO1SLC40A1
SCHEMBL30925586 0.86 SLC40A1 (1.00) TDP1KMT2AMEN1GLO1SLC40A1
SCHEMBL27916992 0.86 TDP1 (1.00) TDP1KMT2AMEN1GLO1SLC40A1

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 16 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-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
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
EP-1742627-A4 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2009-08-26 EP disclosed
EP-1742627-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2007-01-17 EP disclosed
WO-2006078287-A9 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2006-08-31 WO disclosed
WO-2006078287-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2006-07-27 WO disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 US disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 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 (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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A TDP1 83/4885KMT2A 2234/4885MEN1 2737/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A TDP1 83/4885KMT2A 2234/4885MEN1 2737/4885

“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.