SCHEMBL8440469

SCHEMBL8440469

CCOC(=O)c1cc2c(Br)cccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
KDM4E B2RXH2 2/20 0.51
AHR P35869 1/20 0.51
AKR1B1 P15121 1/20 0.51
ALOX5 P09917 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PLK1 P53350 1/20 0.49
NMT2 O60551 1/20 0.47
NMT1 P30419 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46

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
SCHEMBL3460446 0.85 MAOB (0.56) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL8150841 0.84 KDM4E (0.56) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL29144469 0.84 KDM4E (0.48) MAOBKDM4EALDH1A1ATMMAPT
SCHEMBL11059319 0.83 MAOB (0.54) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL10965553 0.83 MAOB (0.54) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL31353116 0.83 MAOB (0.53) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL28368214 0.83 MAOB (0.53) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL9955893 0.83 MAOB (0.60) MAOBKDM4EAHRAKR1B1ALOX5
SCHEMBL1887600 0.83 MAOB (0.56) MAOBKDM4EAHRAKR1B1ALOX5
SCHEMBL16693136 0.83 MAOB (0.53) MAOBKDM4EAHRAKR1B1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430574-B Benzofuran derivative and preparation method and application thereof 潍坊医学院 2024-03-22 CN claimed
CN-117430574-A Benzofuran derivative and preparation method and application thereof 潍坊医学院 2024-01-23 CN claimed
CN-117430574-B Benzofuran derivative and preparation method and application thereof 潍坊医学院 2024-03-22 CN disclosed
CN-117430574-A Benzofuran derivative and preparation method and application thereof 潍坊医学院 2024-01-23 CN disclosed
CN-110770233-B Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2022-07-26 CN disclosed
CN-110770233-A Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2020-02-07 CN disclosed
EP-2655365-B1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE Acturum Life Science AB (SE) 2015-12-16 EP disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
EP-2655365-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE AstraZeneca AB (SE) 2013-10-30 EP disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
CN-1280289-C Alkoxy carbonylamino heteroaryl carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-10-18 CN disclosed
CN-1241909-C Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
CN-1527824-A Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derilatives as IP antagonists - 2004-09-08 CN disclosed
CN-1494544-A Alkoxy carbonylamino heteroaryl carboxylic acid derivatives as IP antagonists - 2004-05-05 CN disclosed
CN-1418187-A Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2003-05-14 CN disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 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-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE GRIN2C, BDNF, GRIN2A MAOB 179/4885KDM4E 1126/4885AHR 2020/4885

“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.