SCHEMBL6741018

SCHEMBL6741018

CC(O)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.45
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRM4 Q14833 1/20 0.43
LMNA P02545 7/20 0.43
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 3/20 0.43
MITF O75030 3/20 0.43
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.42
TLR9 Q9NR96 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
SCHEMBL7038633 0.83 LMNA (0.46) GLO1GRM8GRM6GRM4LMNA
SCHEMBL10028335 0.83 LMNA (0.46) GLO1GRM8GRM6GRM4LMNA
SCHEMBL27732022 0.80 LMNA (0.43) GLO1LMNATDP1KMT2AMITF
SCHEMBL9225955 0.76 GRM8 (0.41) GLO1GRM8GRM6GRM4LMNA
SCHEMBL15200988 0.75 LMNA (0.58) GLO1LMNATDP1KMT2AMITF
SCHEMBL7113969 0.74 GRM8 (0.49) GLO1GRM8GRM6GRM4LMNA
SCHEMBL6550567 0.74 GLO1 (0.51) GLO1GRM8GRM6GRM4LMNA
SCHEMBL27769835 0.73 LMNA (0.50) GLO1LMNATDP1KMT2AMITF
SCHEMBL17789947 0.73 TLR9 (0.40) GLO1GRM8GRM6GRM4LMNA
SCHEMBL16899806 0.72 STAT3 (0.32) LMNATDP1ALDH1A1

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
EP-2336141-B1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-30 EP disclosed
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
WO-2007137196-A2 TUBULIN BINDING ANTI CANCER COMPOUNDS AND PRODRUGS THEREOF THRESHOLD PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 WO disclosed
US-20040242591-A1 Oxazolidinone derivatives as pontential antimicrobials RANBAXY LABORATORIES LIMITED (IN) 2004-12-02 US disclosed
EP-1409464-A1 OXAZOLIDINONE DERIVATIVES AS POTENTIAL ANTIMICROBIALS RANBAXY LABORATORIES, LTD. (IN) 2004-04-21 EP disclosed
WO-2003008389-A1 OXAZOLIDINONE DERIVATIVES AS POTENTIAL ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2003-01-30 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 (3 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-20040242591-A1 Oxazolidinone derivatives as pontential antimicrobials PDK4, OXA1L, PPARD GLO1 2350/4885GRM8 4745/4885GRM6 4553/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP GLO1 2680/4885GRM8 3279/4885GRM6 2920/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP GLO1 2680/4885GRM8 3279/4885GRM6 2920/4885

“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.