SCHEMBL5541749

SCHEMBL5541749

Cc1ccc(-c2ccc(Br)cc2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
KDM4E B2RXH2 6/20 0.65
HPGD P15428 4/20 0.65
LMNA P02545 4/20 0.65
HSD17B10 Q99714 3/20 0.65
TSHR P16473 3/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
GAA P10253 2/20 0.65
PRNP P04156 1/20 0.48
MAOB P27338 4/20 0.46
NQO2 P16083 1/20 0.45
MAOA P21397 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 7/20 0.43
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PPARG P37231 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43

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
SCHEMBL23197679 0.88 TDP1 (0.56) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL5963207 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL2319851 0.81 TDP1 (0.48) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL15271742 0.79 NPC1 (1.00) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL12669250 0.79 TDP1 (0.46) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL5539598 0.77 GSK3B (0.57) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL8532336 0.77 HPGD (0.52) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL13212958 0.77 TDP1 (0.43) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL4444240 0.77 GSK3B (0.57) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL14781240 0.77 KDM4E (0.46) ALDH1A1KDM4EHPGDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2732819-B1 Compounds that enhance Atoh-1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2019-10-16 EP disclosed
EP-3027608-B1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-02-20 EP disclosed
US-10150761-B2 Substituted pyridine-piperazinyl analogues as RSV antiviral compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-12-11 US disclosed
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 US disclosed
CN-105683183-A Substituted pyridine-piperazinyl analogues as RSV antiviral compounds 爱尔兰詹森科学公司 2016-06-15 CN disclosed
EP-3027608-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS Janssen Sciences Ireland UC (IE) 2016-06-08 EP disclosed
WO-2015014836-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2015-02-05 WO disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (6 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-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR ALDH1A1 2540/4885KDM4E 1166/4885HPGD 2904/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885KDM4E 4854/4885HPGD 3159/4885
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS GABRA5, GABRA4, GABRA3 ALDH1A1 372/4885KDM4E 983/4885HPGD 1729/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR ALDH1A1 2540/4885KDM4E 1166/4885HPGD 2904/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 ALDH1A1 814/4885KDM4E 4175/4885HPGD 1280/4885
US-10150761-B2 Substituted pyridine-piperazinyl analogues as RSV antiviral compounds MAVS, ZC3HAV1, PIR ALDH1A1 2466/4885KDM4E 1174/4885HPGD 2830/4885

“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.