SCHEMBL1979309

SCHEMBL1979309

c1ccc2c(Oc3ccc(Oc4c[nH]c5ccccc45)cc3)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.53
ATM Q13315 1/20 0.47
GPR84 Q9NQS5 3/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
AHR P35869 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PBRM1 Q86U86 1/20 0.44
IMPDH2 P12268 2/20 0.42
IMPDH1 P20839 1/20 0.42
CYP2A6 P11509 1/20 0.42
NR4A2 P43354 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41

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
SCHEMBL28007152 0.94 SLC22A6 (0.51) SLC22A6ATMGPR84MEN1CYP3A4
SCHEMBL31744738 0.91 SMN1; SMN2 (0.54) SLC22A6GPR84MEN1MAPTAHR
SCHEMBL31744932 0.91 SLC22A6 (0.50) SLC22A6ATMGPR84MEN1KMT2A
SCHEMBL31744658 0.91 SLC22A6 (0.50) SLC22A6ATMGPR84MEN1CYP3A4
SCHEMBL31744565 0.91 SLC22A6 (0.46) SLC22A6ATMGPR84MEN1CYP3A4
SCHEMBL27396972 0.91 RHEB (0.51) SLC22A6ATMMAPTTP53NPSR1
SCHEMBL3538344 0.89 SLC22A6 (0.58) SLC22A6ATMGPR84MEN1CYP3A4
SCHEMBL31744736 0.87 STING1 (0.49) SLC22A6
SCHEMBL4920498 0.87 STING1 (0.49) SLC22A6GPR84MEN1MAPTKMT2A
SCHEMBL4923715 0.85 SLC22A6 (0.60) SLC22A6GPR84MEN1MAPTKMT2A

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
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-2336141-A2 Phosphoramidate alkylator prodrugs Threshold Pharmaceuticals, Inc. (US) 2011-06-22 EP disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 US disclosed
EP-1896040-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS Threshold Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 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 (4 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-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP SLC22A6 832/4885ATM 1153/4885GPR84 1593/4885
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP SLC22A6 819/4885ATM 1146/4885GPR84 1600/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP SLC22A6 819/4885ATM 1146/4885GPR84 1600/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP SLC22A6 819/4885ATM 1146/4885GPR84 1600/4885

“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.