SCHEMBL14756142

SCHEMBL14756142

NCCc1ccc2sccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.72
TAAR1 Q96RJ0 3/20 0.47
PNMT P11086 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
DYRK1A Q13627 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
ADRA2A P08913 2/20 0.42
MAPT P10636 2/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
MAPK1 P28482 2/20 0.42
DRD3 P35462 2/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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 SCHEMBL20564250 0.98 CYP2A6 (0.70) CYP2A6TAAR1PNMTSIGMAR1DYRK1A
SCHEMBL12569411 0.85 CYP2A6 (0.52) CYP2A6TAAR1PNMTKDM4ESLC6A2
SCHEMBL112311 0.84 CYP2A6 (1.00) CYP2A6SIGMAR1DYRK1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL23088146 0.82 CYP2A6 (0.96) CYP2A6SIGMAR1DYRK1ASLC6A2SLC6A3
SCHEMBL3789042 0.81 CYP2A6 (0.61) CYP2A6SIGMAR1DYRK1ASLC6A2SLC6A3
SCHEMBL2091182 0.81 CYP2A6 (0.61) CYP2A6SIGMAR1DYRK1ASLC6A2SLC6A3
SCHEMBL48139 0.81 CYP2A6 (0.61) CYP2A6SIGMAR1DYRK1AKDM4EMAPT
SCHEMBL3793629 0.78 CYP2A6 (0.58) CYP2A6SIGMAR1MAPK1TPSAB1PDE10A
SCHEMBL10371842 0.77 CYP2A6 (0.56) CYP2A6SIGMAR1DYRK1APTPRCPTPN6
SCHEMBL14756107 0.77 CYP2A6 (0.56) CYP2A6TAAR1SIGMAR1KDM4EADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016115360-A1 C-MYC LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2016-07-21 WO disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
WO-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2013033269-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 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 (3 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 CYP2A6 4717/4885TAAR1 2813/4885PNMT 2904/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 CYP2A6 4829/4885TAAR1 2423/4885PNMT 3238/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 CYP2A6 4591/4885TAAR1 1519/4885PNMT 1884/4885

“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.