SCHEMBL3364704

SCHEMBL3364704

Brc1ccc2cc(Br)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.50
METAP2 P50579 3/20 0.47
NOS1 P29475 2/20 0.47
DYRK1A Q13627 1/20 0.47
CYP2A6 P11509 2/20 0.45
NR4A2 P43354 1/20 0.45
HRH4 Q9H3N8 1/20 0.41
ITK Q08881 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL17422906 0.82 AHR (0.47) AHRMETAP2NOS1DYRK1ACYP2A6
SCHEMBL17433431 0.81 ITK (0.51) AHRMETAP2NOS1DYRK1ACYP2A6
SCHEMBL21812417 0.81 CYP19A1 (0.55) AHRMETAP2NOS1DYRK1ACYP2A6
SCHEMBL475358 0.77 LMNA (0.52) AHRMETAP2NOS1DYRK1ACYP2A6
SCHEMBL22310730 0.77 AOC3 (0.54) AHRMETAP2NOS1DYRK1ACYP2A6
SCHEMBL30697897 0.77 LMNA (0.52) AHRMETAP2NOS1DYRK1ACYP2A6
SCHEMBL2490392 0.77 AHR (0.47) AHRMETAP2NOS1DYRK1ACYP2A6
SCHEMBL20338421 0.77 DAO (0.52) AHRMETAP2CYP2A6ITKKDM4E
SCHEMBL17422847 0.77 AHR (0.47) AHRMETAP2NOS1DYRK1ACYP2A6
SCHEMBL27975970 0.77 DAO (0.52) AHRNOS1DYRK1ANR4A2HRH4

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 6 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
CN-101652346-B Indole derivatives, process for their preparation and their use, especially as antibacterial agents UNIV JOSEPH FOURIER 2013-10-30 CN 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
EP-2121601-A2 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2009-11-25 EP disclosed
WO-2008110690-A2 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS UNIVERSITE JOSEPH FOURIER (FR) 2008-09-18 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 (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 AHR 354/4885METAP2 3170/4885NOS1 149/4885

“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.