SCHEMBL14756193

SCHEMBL14756193

NCCc1ccc2ccc(Br)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.45
HTR2A P28223 1/20 0.45
KDM4E B2RXH2 3/20 0.41
ADRA2A P08913 2/20 0.41
MAPT P10636 2/20 0.41
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
SLC6A2 P23975 2/20 0.41
MAPK1 P28482 2/20 0.41
DRD3 P35462 2/20 0.41
RECQL P46063 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PNMT P11086 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL14756105 0.87 TAAR1 (0.44) TAAR1HTR2AKDM4EADRA2AMAPT
SCHEMBL14756310 0.81 TAAR1 (0.41) TAAR1KDM4EADRA2AMAPTDRD2
SCHEMBL16906816 0.78 CYP1A2 (0.52) TAAR1KDM4EADRA2AMAPTDRD2
SCHEMBL14756201 0.77 TAAR1 (0.50) TAAR1KDM4EMAPTMAPK1ALDH1A1
SCHEMBL28284192 0.74 KMT2A (0.60) KDM4EADRA2AMAPTDRD1SLC6A2
SCHEMBL15980809 0.74 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL20593108 0.73 ALDH1A1 (0.50) TAAR1KDM4EADRA2AMAPTDRD2
SCHEMBL15981507 0.73 TAAR1 (0.41) TAAR1KDM4EADRA2AMAPTDRD2
SCHEMBL3719956 0.71 TAAR1 (0.61) TAAR1HTR2AKDM4EADRA2AMAPT
Hydrochloric Acid SCHEMBL6563371 0.71 KDM4E (0.58) TAAR1HTR2AKDM4EADRA2AMAPT

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 13 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-2015106294-A1 BIVALENT BCR-ABL TYROSINE KINASE LIGANDS, AND METHODS OF USING SAME COFERON,INC. (US) 2015-07-16 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-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, 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
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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US 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 TAAR1 2813/4885HTR2A 3425/4885KDM4E 1492/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 TAAR1 2423/4885HTR2A 4191/4885KDM4E 3073/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 TAAR1 1519/4885HTR2A 4057/4885KDM4E 3162/4885

“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.