SCHEMBL2802004

SCHEMBL2802004

NCc1ccccc1CBr

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.50
DPP4 P27487 2/20 0.46
TAAR1 Q96RJ0 6/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 1/20 0.34

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
SCHEMBL28289 0.85 TSHR (0.50) PNMTTAAR1TRPA1ALDH1A1TSHR
SCHEMBL29405036 0.85 PNMT (0.63) PNMTDPP4TAAR1LOXL2CYP2A6
SCHEMBL29382225 0.85 TSHR (0.50) PNMTTAAR1TRPA1ALDH1A1TSHR
SCHEMBL15247 0.85 PNMT (0.63) PNMTDPP4TAAR1LOXL2CYP2A6
Benzene SCHEMBL734438 0.82 DPP4 (0.62) PNMTDPP4TAAR1LOXL2CYP2A6
Water SCHEMBL6142580 0.82 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6
Hydrochloric Acid SCHEMBL2522138 0.82 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6
Hydrochloric Acid SCHEMBL31276815 0.82 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6
SCHEMBL29212543 0.82 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6
Water SCHEMBL7618285 0.82 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892532-B1 INHIBITORS OF MET, VEGFR AND RET FOR USE IN THE TREATMENT OF LUNG ADENOCARCINOMA EXELIXIS INC (US) 2019-02-13 EP disclosed
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-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
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
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed
US-20100168170-A1 Piperidinones Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-07-01 US disclosed
EP-0087714-A1 N-Substituted (meth)-acryl amide derivatives and their preparation BASF Aktiengesellschaft (DE) 1983-09-07 EP 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 (4 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 PNMT 2904/4885DPP4 4556/4885TAAR1 2813/4885
US-20100168170-A1 Piperidinones Useful in the Treatment of Inflammation ARG1, ARG2, PRMT1 PNMT 123/4885DPP4 2475/4885TAAR1 431/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 PNMT 3238/4885DPP4 4638/4885TAAR1 2423/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 PNMT 1884/4885DPP4 4755/4885TAAR1 1519/4885

“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.