SCHEMBL14756200

SCHEMBL14756200

CNCCc1ccc2ncc(Br)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.50
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
GFER P55789 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL15980813 0.84 NPC1 (0.35) TAAR1CYP1A2TSHRNFKB1MAPK1
SCHEMBL14756308 0.82 NOS1 (0.43) TAAR1MAPTTP53CYP1A2ALOX15
SCHEMBL30745166 0.81 PDGFRB (0.34) MAPTCYP1A2MAPK1ALDH1A1HPGD
SCHEMBL29151033 0.81 PDGFRB (0.34) MAPTCYP1A2MAPK1ALDH1A1HPGD
SCHEMBL29151025 0.80 KDM4E (0.39) MAPTKDM4EALDH1A1
SCHEMBL30745169 0.80 KDM4E (0.39) MAPTKDM4EALDH1A1
SCHEMBL14756190 0.80 TAAR1 (0.46) TAAR1MAPTTP53CYP1A2ALOX15
SCHEMBL18563403 0.79 CYP1A2 (0.41) MAPTTP53CYP1A2TSHRNFKB1
SCHEMBL15985218 0.78 MAPT (0.43) TAAR1MAPTTP53CYP1A2ALOX15
SCHEMBL6519685 0.76 ROCK1 (0.41) NOS1NOS2

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
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-2015106294-A1 BIVALENT BCR-ABL TYROSINE KINASE LIGANDS, 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
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME 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-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
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
WO-2013033269-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS 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 2813/4885MAPT 2520/4885TP53 450/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 TAAR1 2423/4885MAPT 1845/4885TP53 213/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 TAAR1 1519/4885MAPT 2022/4885TP53 677/4885

“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.