SCHEMBL8664810

SCHEMBL8664810

C=CCN1C=CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
PRCP P42785 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NSD2 O96028 1/20 0.36
THRB P10828 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR1A P08908 2/20 0.33
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL2734403 0.78 NPC1 (0.37) ADRA1AKMT2AMEN1ADRA2AHTR1A
SCHEMBL3972975 0.77 ALDH1A1 (0.35) KMT2AMEN1POLB
SCHEMBL10760096 0.77 NPC1 (0.36) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL3714616 0.77 ALDH1A1 (0.39) ADRA1AMAPTKMT2AMEN1MAPK1
SCHEMBL3927245 0.75 ALDH1A1 (0.38) MAPTKMT2AMEN1GAA
SCHEMBL4551705 0.75 POLB (0.47) NSD2OPRM1SIGMAR1POLBGAA
Bromide SCHEMBL1169843 0.75 POLB (0.33) KMT2AMEN1POLB
SCHEMBL8448450 0.75 HTR2A (0.40) ADRA1AMAPTKMT2AMEN1MAPK1
SCHEMBL6248731 0.75 HTR2A (0.37) ADRA1AMAPTKMT2AMEN1MAPK1
SCHEMBL3373922 0.74 MEN1 (0.35) ADRA1AMAPTKMT2AL3MBTL1MEN1

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-11390586-B2 Pyridinium, quinolinium, acridinium, pyrylium, chromenylium or xanthylizum reactive desorption and/or laser ablation ionization matrices and use thereof ANDREN PER (SE) 2022-07-19 US disclosed
EP-3762374-A1 PYRIDINIUM, QUINOLINIUM, ACRIDINIUM, PYRYLIUM, CHROMENYLIUM OR XANTHYLIZUM REACTIVE DESORPTION AND/OR LASER ABLATION IONIZATION MATRICES AND USE THEREOF Andrén, Per (SE) 2021-01-13 EP disclosed
US-20200407317-A1 PYRIDINIUM, QUINOLINIUM, ACRIDINIUM, PYRYLIUM, CHROMENYLIUM OR XANTHYLIZUM REACTIVE DESORPTION AND/OR LASER ABLATION IONIZATION MATRICES AND USE THEREOF ANDREN PER (SE) 2020-12-31 US disclosed
CN-111971275-A Pyridinium, quinolinium, acridinium, pyrylium, benzopyrylium or xanthylium reactive desorption and/or laser ablation ionization matrix and use thereof 皮尔·安德伦 2020-11-20 CN disclosed
WO-2019172830-A1 PYRIDINIUM, QUINOLINIUM, ACRIDINIUM, PYRYLIUM, CHROMENYLIUM OR XANTHYLIZUM REACTIVE DESORPTION AND/OR LASER ABLATION IONIZATION MATRICES AND USE THEREOF ANDREN PER (SE) 2019-09-12 WO disclosed
EP-0628424-B1 Method for marking a surface of an object by means of a laser KONINKL PHILIPS ELECTRONICS NV (NL) 1998-11-04 EP disclosed
US-5554196-A Method of marking a surface of an object by means of a laser light U.S. PHILIPS CORPORATION (US) 1996-09-10 US disclosed
US-5446165-A Crystalline 1-alkyl-2-quinolinium salts ZENECA LIMITED (GB) 1995-08-29 US disclosed
EP-0628424-A1 Method for marking a surface of an object by means of a laser Koninklijke Philips Electronics N.V. (NL) 1994-12-14 EP disclosed
US-4229343-A Azo dyes from an oxadiazolyl-substituted aniline BASF AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4016151-A Phenyl-substituted phthalazone azo dyes with a coupling component of the phenol, napthol, acetoacetarylide, pyrazolone, quinolone, pyridine, pyrimidone or isoquinolone series BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-04-05 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-11390586-B2 Pyridinium, quinolinium, acridinium, pyrylium, chromenylium or xanthylizum reactive desorption and/or laser ablation ionization matrices and use thereof KYNU, ANXA5, RAB35 ADRA1D 3461/4885ADRA1A 3382/4885ADRA1B 2571/4885
US-20200407317-A1 PYRIDINIUM, QUINOLINIUM, ACRIDINIUM, PYRYLIUM, CHROMENYLIUM OR XANTHYLIZUM REACTIVE DESORPTION AND/OR LASER ABLATION IONIZATION MATRICES AND USE THEREOF KYNU, ANXA5, RAB35 ADRA1D 3461/4885ADRA1A 3382/4885ADRA1B 2571/4885

“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.