SCHEMBL2008644

SCHEMBL2008644

CCCCCCC=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
APP P05067 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FBP1 P09467 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TNNC1 P63316 1/20 0.46
KCNH2 Q12809 1/20 0.46
PTGS1 P23219 2/20 0.44
CYP19A1 P11511 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL8670886 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL15688634 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL8670890 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL15688633 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL2008642 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL6437684 0.98 PTGS2 (0.53) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL6437741 0.98 PTGS2 (0.53) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL6437682 0.98 PTGS2 (0.53) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL15689016 0.94 PTGS2 (0.54) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL15689017 0.94 PTGS2 (0.54) PTGS2MAPTALDH1A1APPMEN1

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-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2018-09-25 US disclosed
US-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-01-04 US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 US disclosed
EP-2364089-B1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC (US) 2016-12-07 EP disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 US disclosed
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2014-04-10 US disclosed
US-8349849-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-01-08 US disclosed
EP-2364089-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-7960571-B2 Silicon-based cross-coupling reagent and production method of organic compound using the same KYOTO UNIVERSITY (JP) 2011-06-14 US disclosed
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2010-06-24 US disclosed
WO-2010051031-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO disclosed
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same KYOTO UNIVERSITY (JP) 2009-03-12 US disclosed
EP-0078768-B1 PROCESS FOR THE CATALYTIC PD ARYLATION OF OLEFINES WITH ARYL HALOGENIDES CIBA-GEIGY AG (CH) 1986-08-27 EP disclosed
US-4564479-A PALLADIUM COMPOUND, PHOSPHORUS OR ARSENIC COMPOUND CIBA-GEIGY CORPORATION (US) 1986-01-14 US disclosed
EP-0078768-A1 Process for the catalytic Pd arylation of olefines with aryl halogenides CIBA-GEIGY AG (CH) 1983-05-11 EP 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 (6 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-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 PTGS2 4082/4885MAPT 3686/4885ALDH1A1 4630/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 PTGS2 4082/4885MAPT 3686/4885ALDH1A1 4630/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 PTGS2 4082/4885MAPT 3686/4885ALDH1A1 4630/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 PTGS2 4082/4885MAPT 3686/4885ALDH1A1 4630/4885
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same DNMT1, TET3, CTCF PTGS2 2160/4885MAPT 3897/4885ALDH1A1 3368/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 PTGS2 4082/4885MAPT 3686/4885ALDH1A1 4630/4885

“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.