SCHEMBL974704

SCHEMBL974704

CN1CCC(c2ccccc2)OP1(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
FAAH O00519 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3187838 0.76 CRYZ (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL3187832 0.76 CRYZ (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL3188157 0.76 CRYZ (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL15112222 0.76 CRYZ (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL974218 0.76 MEN1 (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL17724920 0.76 CRYZ (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL17447006 0.76 CRYZ (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL3197086 0.76 CRYZ (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL26194395 0.76 MAPT (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL26189900 0.76 MAPT (0.36) ALDH1A1SMN1; SMN2HTTMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664195-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2014-03-04 US disclosed
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8080536-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2011-01-13 US disclosed
US-7816345-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2010-10-19 US disclosed
US-20080125605-A1 Novel Phosphorus-Containing Prodrugs METABASIS THERAPEUTICS, INC. 2008-05-29 US disclosed
US-20070249564-A1 Novel phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2007-10-25 US disclosed
US-7205404-B1 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
EP-1165570-B9 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2007-02-21 EP disclosed
EP-1724276-A1 Novel phosphorus-containing prodrugs Metabasis Therapeutics, Inc. (US) 2006-11-22 EP disclosed
EP-1165570-B1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2006-08-23 EP disclosed
EP-1634886-A2 Novel phosphorus-containing prodrug Metabasis Therapeutics, Inc. (US) 2006-03-15 EP disclosed
EP-1165570-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS Metabasis Therapeutics, Inc. (US) 2002-01-02 EP disclosed
WO-2000052015-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2000-09-08 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-20080125605-A1 Novel Phosphorus-Containing Prodrugs PYGL, ALPI, SLC10A1 ALDH1A1 2369/4885SMN1; SMN2 3213/4885HTT 4792/4885
US-20070249564-A1 Novel phosphorus-containing prodrugs PYGL, ALPI, SLC10A1 ALDH1A1 2369/4885SMN1; SMN2 3213/4885HTT 4792/4885
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 ALDH1A1 2369/4885SMN1; SMN2 3213/4885HTT 4792/4885
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 ALDH1A1 2369/4885SMN1; SMN2 3213/4885HTT 4792/4885

“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.