SCHEMBL2385292

SCHEMBL2385292

BrCc1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
AHR P35869 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HRH4 Q9H3N8 1/20 0.49
AOC3 Q16853 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
OPRK1 P41145 1/20 0.45
CHRNA7 P36544 1/20 0.44

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
SCHEMBL30539520 0.83 LOXL2 (0.60) LOXL2AHRHRH3HRH4AOC3
SCHEMBL2970418 0.83 LOXL2 (0.60) LOXL2AHRHRH3HRH4AOC3
SCHEMBL28338445 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL29403791 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL7169246 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL401081 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL31059889 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL28545346 0.81 LOXL2 (0.62) LOXL2AHRHRH3HRH4AOC3
SCHEMBL3272996 0.80 LOXL2 (0.56) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL28335219 0.80 LOXL2 (0.67) LOXL2AHRHRH3AOC3MTNR1A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119640-A1 ANTIBACTERIAL HYDROPHILIC COMPOUND SHENZHEN UNIVERSITY (CN) 2023-04-20 US disclosed
US-11503828-B2 Antibacterial hydrophilic compound and use thereof SHENZHEN UNIVERSITY (CN) 2022-11-22 US disclosed
US-20200093124-A1 ANTIBACTERIAL HYDROPHILIC COMPOUND AND USE THEREOF SHENZHEN UNIVERSITY (CN) 2020-03-26 US disclosed
CN-110105338-A 6 '-replace amine formyl benzimidazole -4- substituent methyl indole derivatives 东华大学 2019-08-09 CN disclosed
CN-103435605-B A kind of morpholine class tetrazotized zole compound and its preparation method and application DONGHUA UNIVERSITY (CN) 2016-04-06 CN disclosed
CN-103435605-B A kind of morpholine class tetrazotized zole compound and its preparation method and application DONGHUA UNIVERSITY (CN) 2016-04-06 CN disclosed
CN-102796083-B Assorted spirocyclic ketone N-Phenylindole compounds, its preparation method and application CHEN ZHILONG (CN) 2015-09-30 CN disclosed
US-20150057433-A1 PREPARATION OF FUNCTIONALIZED POLYPEPTIDES, PEPTIDES, AND PROTEINS BY ALKYLATION OF THIOETHER GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-26 US disclosed
CN-103145697-B Nitrobenzimidazole compound, preparation method and application thereof UNIV DONGHUA 2015-02-25 CN disclosed
CN-103145697-B Nitrobenzimidazole compound, preparation method and application thereof UNIV DONGHUA 2015-02-25 CN disclosed
EP-1660484-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-31 EP disclosed
US-6979696-B2 Method for detecting a gram-negative bacterial autoinducer molecule ROCHE PALO ALTO LLC (US) 2005-12-27 US disclosed
WO-2004099189-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 WO disclosed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 US disclosed
US-6376253-B1 CULTIVATION OF A MICROBIAL CULTURE CONTAINING ISOTOPICALLY LABELED AMINO ACIDS MARTEK BIOSCIENCES CORPORATION 2002-04-23 US disclosed
US-6340578-B1 HIGH SPEED DETERMINATION OF THREE-DIMENSIONAL STRUCTURE USING ISOTOPES; POLYPEPTIDE BIOSYNTHESIS MARTEK BIOSCIENCES CORPORATION 2002-01-22 US disclosed
US-6335196-B1 NUTRIENT BROTH; FOR USE IN THE PROPAGATION OF BACTERIAL, YEAST, MAMMALIAN OR INSECT CELL CULTURES MARTEK BIOSCIENCES CORP. 2002-01-01 US disclosed
US-6111066-A PEPTIDES SUBSTITUTED WITH CARBON, NITROGEN AND HYDROGEN ISOTOPES; FOR THREE DIMENSIONAL NUCLEAR MAGNETIC RESONANCE STRUCTURE DETERMINATION; PRODUCED BY CELL CULTURE MARTEK BIOSCIENCES CORPORATION (US) 2000-08-29 US disclosed
EP-1009725-A1 13C,15N,2H LABELED PROTEINS FOR NMR STRUCTURE DETERMINATIONS AND THEIR PREPARATION MARTEK BIOSCIENCES CORPORATION (US) 2000-06-21 EP disclosed
WO-1999011589-A1 13C, 15N, 2H LABELED PROTEINS FOR NMR STRUCTURE DETERMINATIONS AND THEIR PREPARATION MARTEK BIOSCIENCES CORPORATION (US) 1999-03-11 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 (5 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-20040224973-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1D LOXL2 2021/4885AHR 210/4885HRH3 269/4885
US-20200093124-A1 ANTIBACTERIAL HYDROPHILIC COMPOUND AND USE THEREOF HIRA, NOD2, HIRIP3 LOXL2 2708/4885AHR 640/4885HRH3 28/4885
US-11503828-B2 Antibacterial hydrophilic compound and use thereof HIRA, NOD2, HIRIP3 LOXL2 2708/4885AHR 640/4885HRH3 28/4885
US-20150057433-A1 PREPARATION OF FUNCTIONALIZED POLYPEPTIDES, PEPTIDES, AND PROTEINS BY ALKYLATION OF THIOETHER GROUPS PTMS, TMT1A, PTMA LOXL2 3543/4885AHR 4373/4885HRH3 3659/4885
US-20230119640-A1 ANTIBACTERIAL HYDROPHILIC COMPOUND HIRA, NOD2, CHLSN LOXL2 3034/4885AHR 1164/4885HRH3 15/4885

“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.