SCHEMBL3334684

SCHEMBL3334684

CC(C)(C)OC(=O)NCC(N)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.45
NR4A2 P43354 1/20 0.44
CAMK2D Q13557 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRB2 P47870 1/20 0.40
GUSB P08236 1/20 0.38
IDO1 P14902 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL13301912 0.91 AAK1 (0.45) AAK1NR4A2CAMK2DMTNR1AMTNR1B
SCHEMBL15944117 0.88 NR4A2 (0.43) NR4A2MTNR1AMTNR1BCTSLCTSS
SCHEMBL17826908 0.88 MTNR1A (0.54) AAK1NR4A2CAMK2DMTNR1AMTNR1B
SCHEMBL15944824 0.86 MTNR1A (0.39) AAK1CAMK2DMTNR1AMTNR1BCTSL
SCHEMBL3333209 0.86 NR4A2 (0.44) AAK1NR4A2CAMK2DMTNR1AMTNR1B
SCHEMBL3334978 0.86 NR4A2 (0.44) AAK1NR4A2CAMK2DMTNR1AMTNR1B
SCHEMBL3331422 0.86 MTNR1A (0.57) NR4A2MTNR1AMTNR1B
SCHEMBL17826934 0.85 AAK1 (0.43) AAK1NR4A2CAMK2DMTNR1AMTNR1B
SCHEMBL17826910 0.85 KMT2A (0.42) MTNR1AMTNR1BCTSLCTSSCTSK
SCHEMBL13301913 0.84 MAPT (0.49) CAMK2DCTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676715-B2 Bis-indolic derivatives, a process for preparing the same and their uses as a drug UNIVERSITE JOSEPH FOURIER (FR) 2017-06-13 US disclosed
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
US-9321722-B2 Bis-indolic derivatives, their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2016-04-26 US disclosed
US-20140309272-A1 BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIVERSITE JOSEPH FOURIER (FR) 2014-10-16 US disclosed
US-20140228359-A1 BIS-INDOLIC DERIVATIVES, THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2014-08-14 US disclosed
EP-2548865-B1 Novel bis-indolic derivatives, their uses in particular as antibacterials UNIV JOSEPH FOURIER (FR) 2014-03-05 EP disclosed
EP-2548864-B1 NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIV JOSEPH FOURIER (FR) 2014-02-19 EP disclosed
EP-2548864-A1 NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG Université Joseph Fourier (FR) 2013-01-23 EP disclosed
EP-2548865-A1 Novel bis-indolic derivatives, their uses in particular as antibacterials Université Joseph Fourier (FR) 2013-01-23 EP disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US 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-20140228359-A1 BIS-INDOLIC DERIVATIVES, THEIR USES IN PARTICULAR AS ANTIBACTERIALS IDO1, IDO2, AANAT AAK1 2460/4885NR4A2 3867/4885CAMK2D 721/4885
US-20140309272-A1 BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG IDO1, ITPA, IDO2 AAK1 1981/4885NR4A2 4000/4885CAMK2D 1030/4885
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 AAK1 3461/4885NR4A2 831/4885CAMK2D 3216/4885

“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.