SCHEMBL4544213

SCHEMBL4544213

O=[N+]([O-])c1ccccc1-n1cnnn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 3/20 0.46
NOTUM Q6P988 1/20 0.46
HTT P42858 2/20 0.45
HSP90AA1 P07900 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
HCAR1 Q9BXC0 1/20 0.43
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
FGFR1 P11362 1/20 0.40
POLB P06746 1/20 0.40
GPR35 Q9HC97 1/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL30783842 1.00 ALDH1A1 (0.50) ALDH1A1NPSR1LMNAMAPTNOTUM
SCHEMBL17743374 0.78 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAMAPTNOTUM
SCHEMBL29957683 0.78 ALDH1A1 (0.52) ALDH1A1LMNAMAPTNOTUMHTT
SCHEMBL23466439 0.78 ALDH1A1 (0.52) ALDH1A1LMNAMAPTNOTUMHTT
SCHEMBL12615992 0.78 ALDH1A1 (0.68) ALDH1A1NPSR1MAPTNOTUMNPC1
Hydrochloric Acid SCHEMBL28837817 0.77 LMNA (0.39) ALDH1A1NPSR1LMNAMAPTNOTUM
SCHEMBL4457137 0.77 HTT (0.40) ALDH1A1LMNAMAPTNOTUMHTT
SCHEMBL1663908 0.75 NPC1 (0.64) ALDH1A1LMNAMAPTHTTTDP1
SCHEMBL10550799 0.75 HCAR1 (0.47) ALDH1A1MAPTHTTTDP1L3MBTL1
SCHEMBL28722084 0.75 GPR35 (0.47) ALDH1A1LMNAMAPTNOTUMHTT

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-7629463-B2 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-08 US disclosed
US-20080132524-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests CLARK DAVID ALAN 2008-06-05 US disclosed
US-7375232-B2 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-20 US disclosed
EP-1417204-B1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2006-01-18 EP disclosed
US-20040242645-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests E. I. DU PONT DE NEMOURS AND COMPANY 2004-12-02 US disclosed
EP-1417204-A1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS E. I. du Pont de Nemours and Company (US) 2004-05-12 EP disclosed
WO-2003016304-A1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 WO disclosed
US-5656458-A Expression and processing of amino terminus acetylated FGF's in yeast CHIRON CORPORATION (US) 1997-08-12 US disclosed
EP-0441886-B1 EXPRESSION AND PROCESSING OF ACETYLATED FGF'S IN YEAST CHIRON CORP (US) 1996-08-21 EP disclosed
US-5464774-A DNA sequence THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1995-11-07 US disclosed
US-5155214-A Basic fibroblast growth factor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-10-13 US 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-20080132524-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests AOC2, DDT, CBR3 ALDH1A1 1998/4885NPSR1 307/4885LMNA 4791/4885
US-20040242645-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests AOC2, OLA1, AOC3 ALDH1A1 1639/4885NPSR1 389/4885LMNA 3892/4885

“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.