SCHEMBL3333209

SCHEMBL3333209

CC(C)(C)OC(=O)NCC(NO)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
CAMK2D Q13557 1/20 0.44
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
AAK1 Q2M2I8 2/20 0.42
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
GUSB P08236 1/20 0.38
IDO1 P14902 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
SCHEMBL13301910 0.92 AAK1 (0.42) NR4A2CAMK2DMTNR1AMTNR1BAAK1
SCHEMBL3334978 0.92 NR4A2 (0.44) NR4A2CAMK2DMTNR1AMTNR1BAAK1
SCHEMBL17826934 0.89 AAK1 (0.43) NR4A2CAMK2DMTNR1AMTNR1BAAK1
SCHEMBL14646945 0.87 CAMK2D (0.43) NR4A2CAMK2DAAK1TRPV1
SCHEMBL14646943 0.87 CAMK2D (0.41) NR4A2CAMK2DMTNR1AMTNR1BAAK1
SCHEMBL14646918 0.87 NR4A2 (0.47) NR4A2CAMK2DMTNR1AMTNR1BAAK1
SCHEMBL17826908 0.87 MTNR1A (0.54) NR4A2CAMK2DMTNR1AMTNR1BAAK1
SCHEMBL3334684 0.86 AAK1 (0.45) NR4A2CAMK2DMTNR1AMTNR1BAAK1
SCHEMBL14646077 0.85 NR4A2 (0.46) NR4A2
SCHEMBL14646946 0.85 KMT2A (0.46) NR4A2CAMK2DMTNR1AMTNR1BAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-5368317-B2 2013-12-18 JP 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-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
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 (1 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-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 NR4A2 831/4885CAMK2D 3216/4885MTNR1A 28/4885

“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.