SCHEMBL4619852

SCHEMBL4619852

O=[N+]([O-])c1ncc2ccccc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.51
S100A4 P26447 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.42
PIM1 P11309 2/20 0.42
CYP3A4 P08684 1/20 0.42
PIM3 Q86V86 1/20 0.42
ERN1 O75460 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
CTSB P07858 2/20 0.41
GAA P10253 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
GPR3 P46089 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 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
SCHEMBL10939701 0.81 CYP3A4 (0.56) CASP6S100A4MEN1KMT2AALDH1A1
SCHEMBL6610343 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1PIM1CYP3A4
SCHEMBL7408400 0.76 CYP3A4 (0.55) CASP6S100A4MEN1KMT2AALDH1A1
SCHEMBL12490166 0.76 MAPT (0.45) MEN1KMT2AALDH1A1PIM1CYP3A4
SCHEMBL10902960 0.72 AGTR1 (0.47) MEN1KMT2AALDH1A1PIM1CYP3A4
SCHEMBL28270294 0.71 CYP19A1 (0.50) CASP6MEN1KMT2AALDH1A1PIM1
SCHEMBL3280151 0.71 KDM4E (0.42) CASP6KMT2AALDH1A1KDM4EMAPT
SCHEMBL9125784 0.71 KDM4E (0.50) KMT2AALDH1A1CYP3A4KDM4EMAPT
SCHEMBL30790223 0.71 KDM4E (0.50) KMT2AALDH1A1CYP3A4KDM4EMAPT
SCHEMBL9589546 0.71 KDM4E (0.50) KMT2AALDH1A1CYP3A4KDM4EMAPT

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-20080124732-A1 METHOD FOR OPTICAL MEASUREMENT OF MULTI-STRANDED NUCLEIC ACID FUJIFILM CORPORATION 2008-05-29 US disclosed
EP-1889880-A2 Method for optical measurement of multi-stranded nucleic acid FUJIFILM Corporation (JP) 2008-02-20 EP disclosed
EP-1362894-B1 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-20050112770-A1 Method for optical measurement of multi-stranded nucleic acid FUJI PHOTO FILM CO., LTD. 2005-05-26 US disclosed
US-6825347-B2 TRIAZOLE OR IMIDAZOLE OXIDE COMPOUND WITH A POSITIVELY CHARGED ELECTRON WITHDRAWING GROUP (A QUATERNARY NITROGEN CONTAINING AMIDINE OR IMINE GROUP); USEFUL IN EFFECTING THE ACYLATION STEP IN AMIDE FORMATION (PEPTIDE SYNTHESIS) RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-11-30 US disclosed
EP-1395584-A4 URONIUM AND IMMONIUM SALTS FOR PEPTIDE COUPLING CARPINO LOUIS A (US) 2004-11-03 EP disclosed
EP-1395584-A1 URONIUM AND IMMONIUM SALTS FOR PEPTIDE COUPLING Carpino, Louis A. (US) 2004-03-10 EP disclosed
EP-1362894-A2 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2003-11-19 EP disclosed
US-20030125561-A1 Uronium and immonium salts for peptide coupling NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-03 US disclosed
WO-2002094822-A1 URONIUM AND IMMONIUM SALTS FOR PEPTIDE COUPLING CARPINO LOUIS A (US) 2002-11-28 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-20030125561-A1 Uronium and immonium salts for peptide coupling NGLY1, VIP, IAPP CASP6 3797/4885S100A4 548/4885MEN1 373/4885

“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.