SCHEMBL8095239

SCHEMBL8095239

CN(C)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
BCHE P06276 6/20 0.53
KDM1A O60341 2/20 0.53
CYP2D6 P10635 4/20 0.50
CHRM2 P08172 3/20 0.50
HTR1A P08908 3/20 0.50
ADRA2A P08913 3/20 0.50
CHRM1 P11229 3/20 0.50
DRD1 P21728 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
ADRA1A P35348 3/20 0.50
OPRM1 P35372 3/20 0.50
DRD3 P35462 3/20 0.50
KCNH2 Q12809 3/20 0.50
LMNA P02545 3/20 0.50
PTGS1 P23219 3/20 0.50
SLC22A1 O15245 2/20 0.50
PRNP P04156 2/20 0.50
CYP1A2 P05177 2/20 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
Hydrochloric Acid SCHEMBL8089788 0.98 MAOA (0.56) MAOABCHEKDM1ACYP2D6CHRM2
SCHEMBL17964491 0.80 MAOA (0.43) MAOABCHEKDM1ACYP2D6CHRM2
Iodide SCHEMBL16344751 0.79 MAOA (0.42) MAOABCHEKDM1ACYP2D6CHRM2
SCHEMBL231247 0.73 MAOA (1.00) MAOABCHEKDM1ACYP2D6CHRM2
SCHEMBL29377505 0.73 MAOA (1.00) MAOABCHEKDM1ACYP2D6CHRM2
SCHEMBL11218770 0.73 BCHE (0.53) MAOABCHECYP2D6CYP2C19TSHR
SCHEMBL9611564 0.72 KDM1A (0.68) MAOABCHEKDM1ACYP2D6CHRM2
SCHEMBL1718054 0.72 MAOA (0.64) MAOABCHEKDM1AADRA2ASLC6A2
SCHEMBL9724497 0.72 KDM1A (0.47) MAOABCHEKDM1ACYP2D6CHRM2
SCHEMBL15229632 0.71 BCHE (0.49) MAOABCHEKDM1ACYP2D6CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674021-B1 Process for inhibiting metal corrosion in aquous systems SCHILLING CHEMIE GMBH U PRODUK (DE) 2000-12-06 EP claimed
US-20220393117-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-12-08 US disclosed
US-9670330-B2 Method and dye mixtures for marking shape memory polymers, and shape memory polymer articles with switchable readability BAM Bundesanstalt fuer Materialforschung und—Pruefung (DE) 2017-06-06 US disclosed
EP-2820003-B9 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED UNIVERSITÉ CLAUDE BERNARD LYON I (FR) 2017-05-03 EP disclosed
US-9540405-B2 Diaminophenothiazinium derivatives for labelling biomolecules, method and substrate for labelling oligonucleotides, and oligonucleotides obtained UNIVERSITE CLAUDE BERNARD LYON I (FR) 2017-01-10 US disclosed
EP-2820003-B1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED UNIVERSITÉ CLAUDE BERNARD LYON I (FR) 2016-08-10 EP disclosed
US-20150011712-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED UNIVERSITE CLAUDE BERNARD LYON I (FR) 2015-01-08 US disclosed
EP-2820003-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED Université Claude Bernard Lyon I (FR) 2015-01-07 EP disclosed
WO-2013128099-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED UNIVERSITE CLAUDE BERNARD LYON I (FR) 2013-09-06 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 (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-20220393117-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NPY1R, NPY2R, KISS1R MAOA 3073/4885BCHE 4738/4885KDM1A 338/4885
US-20150011712-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED POLRMT, RNASEH1, PDXK MAOA 551/4885BCHE 4093/4885KDM1A 3198/4885

“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.