SCHEMBL4291368

SCHEMBL4291368

O=[N+]([O-])c1ccc(N=Nc2[c]cccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
ALDH1A1 P00352 7/20 0.49
MAPT P10636 6/20 0.49
RAB9A P51151 4/20 0.49
MAPK1 P28482 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NPC1 O15118 3/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HSP90AA1 P07900 2/20 0.44
AGTR1 P30556 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL4291365 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL270426 0.79 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL270425 0.79 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL29588234 0.79 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL3282776 0.78 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL3282773 0.78 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTRAB9A
Methane SCHEMBL5133892 0.77 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL28545676 0.77 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL1225987 0.77 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL672173 0.77 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663055-A Methods for diagnosing human influenza and 4-position modified chromogenic N-acetylneuraminic acid substrated for use therein OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1997-09-02 US claimed
EP-0507854-B1 METHODS FOR DIAGNOSING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN SYMEX CORP (US) 1996-11-27 EP claimed
EP-0507854-A4 METHODS FOR DIAGNOSTING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN 1992-10-21 EP claimed
EP-0507854-A1 METHODS FOR DIAGNOSTING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN. SYMEX CORP (US) 1992-10-14 EP claimed
WO-1991010744-A1 CHROMOGENIC 9-POSITION MODIFIED N-ACETYLNEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-25 WO claimed
WO-1991009975-A1 CHROMOGENIC 7- OR 8-POSITION MODIFIED N-ACETYLNEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-11 WO claimed
WO-1991009972-A1 METHODS FOR DIAGNOSTING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN SYMEX CORP. (US) 1991-07-11 WO claimed
WO-1991009971-A1 CHROMOGENIC 5-POSITION MODIFIED NEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-11 WO claimed
US-8198436-B2 Colorimetric detection of cyanide with a chromogenic oxazine THE UNIVERSITY OF MIAMI (US) 2012-06-12 US disclosed
US-20090258429-A1 Colorimetric detection of cyanide with a chromogenic oxazine MIAMI, THE UNIVERSITY OF 2009-10-15 US disclosed
WO-2007028080-A1 COLORIMETRIC DETECTION OF CYANIDE WITH A CHROMOGENIC OXAZINE THE UNIVERSITY OF MIAMI (US) 2007-03-08 WO disclosed
US-5663055-A Methods for diagnosing human influenza and 4-position modified chromogenic N-acetylneuraminic acid substrated for use therein OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1997-09-02 US disclosed
WO-1991010744-A1 CHROMOGENIC 9-POSITION MODIFIED N-ACETYLNEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-25 WO disclosed
WO-1991009975-A1 CHROMOGENIC 7- OR 8-POSITION MODIFIED N-ACETYLNEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-11 WO disclosed
WO-1991009971-A1 CHROMOGENIC 5-POSITION MODIFIED NEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-11 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 (1 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-20090258429-A1 Colorimetric detection of cyanide with a chromogenic oxazine CBR3, CBR1, CYCS MEN1 4062/4885KMT2A 3788/4885ALDH1A1 2399/4885

“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.