SCHEMBL851843

SCHEMBL851843

COC(=O)C/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 5/20 0.57
AR P10275 1/20 0.55
RAB9A P51151 3/20 0.52
ATM Q13315 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
BACE1 P56817 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.50
STAT3 P40763 1/20 0.50

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
SCHEMBL851844 1.00 MAPT (0.57) MAPTNPSR1ALDH1A1ARRAB9A
SCHEMBL27277052 0.86 MAPT (0.51) MAPTNPSR1ALDH1A1ARRAB9A
SCHEMBL4366473 0.83 MAPT (0.61) MAPTALDH1A1RAB9AATMMEN1
SCHEMBL4366477 0.83 MAPT (0.61) MAPTALDH1A1RAB9AATMMEN1
SCHEMBL10666396 0.83 BACE1 (0.65) MAPTNPSR1ALDH1A1ARRAB9A
SCHEMBL7411297 0.83 BACE1 (0.65) MAPTNPSR1ALDH1A1ARRAB9A
SCHEMBL1803605 0.82 MAPT (0.64) MAPTALDH1A1RAB9AATMMEN1
SCHEMBL1803603 0.82 MAPT (0.64) MAPTALDH1A1RAB9AATMMEN1
SCHEMBL1803606 0.82 MAPT (0.64) MAPTALDH1A1RAB9AATMMEN1
SCHEMBL6677087 0.78 MEN1 (0.71) MAPTNPSR1ALDH1A1ARRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933067-B2 Pyrido and pyrimidopyrimidine derivatives as anti-profilerative agents JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
EP-2641907-A1 Preparation of modulators of 5-HT receptors AbbVie Inc. (US) 2013-09-25 EP disclosed
US-20130231353-A1 PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROFILERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-05 US disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed
US-7655642-B2 e.g. 7-bromo-23-methoxy-12-oxo-10,11,12,13,14,15,16,17,18,19-decahydro-5H-1,21-(ethanediylidene)pyrido[4,3-b][6,1,10,13]benzoxatriazacyclooctadecine-4-carbonitrile; tyrosine kinase, angiogenesis inhibitor; growth factors (epidermal, fibroblast, platelet, endothelial) antagonist; antiproliferative agent JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-02 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20080139601-A1 e.g. 7-bromo-23-methoxy-12-oxo-10,11,12,13,14,15,16,17,18,19-decahydro-5H-1,21-(ethanediylidene)pyrido[4,3-b][6,1,10,13]benzoxatriazacyclooctadecine-4-carbonitrile; tyrosine kinase, angiogenesis inhibitor; growth factors (epidermal, fibroblast, platelet, endothelial) antagonist; antiproliferative agent JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
US-4536391-A REACTING A PLASMIN HEAVY CHAIN WITH UROKINASE IN THE PRESENCE OF A COUPLING AGENT OTSUKA PHARMACEUTICAL CO. (JP) 1985-08-20 US disclosed
EP-0109653-A2 Process for preparing urokinase complex OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-05-30 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 (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-20130231353-A1 PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROFILERATIVE AGENTS NR4A1, CYP2J2, NR3C2 MAPT 4853/4885NPSR1 830/4885ALDH1A1 1357/4885
US-20080139601-A1 e.g. 7-bromo-23-methoxy-12-oxo-10,11,12,13,14,15,16,17,18,19-decahydro-5H-1,21-(ethanediylidene)pyrido[4,3-b][6,1,10,13]benzoxatriazacyclooctadecine-4-carbonitrile; tyrosine kinase, angiogenesis inhibitor; growth factors (epidermal, fibroblast, platelet, endothelial) antagonist; antiproliferative agent KDR, PDGFRB, NR1H2 MAPT 4884/4885NPSR1 897/4885ALDH1A1 1965/4885

“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.