SCHEMBL3930009

SCHEMBL3930009

O=C(OBr)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 5/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 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
SCHEMBL674157 0.84 TSHR (0.50) ALDH1A1ALOX15TDP1NPC1HPGD
SCHEMBL38657491 0.84 TSHR (0.50) ALDH1A1ALOX15TDP1NPC1HPGD
SCHEMBL8378855 0.82 CES2 (0.62) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL6062757 0.82 CES2 (0.62) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL3398637 0.82 CES2 (0.62) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL20599487 0.80 CES2 (0.60) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL28290973 0.79 CES2 (0.65) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL24288684 0.78 CES2 (0.58) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL513706 0.78 CES2 (0.58) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL21681966 0.78 CES2 (0.58) CES2CES1ALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238175-A1 SOLID STATE FORMS OF VENETOCLAX AND PROCESSES FOR PREPARATION OF VENETOCLAX ASSIA CHEM IND LTD (IL) 2021-08-05 US disclosed
US-11001582-B2 Solid state forms of Venetoclax and processes for preparation of Venetoclax ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2021-05-11 US disclosed
US-20190135806-A1 SOLID STATE FORMS OF VENETOCLAX AND PROCESSES FOR PREPARATION OF VENETOCLAX ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2019-05-09 US disclosed
CN-106164076-B Compound as ROS1 inhibitor 詹森药业有限公司 2019-03-26 CN disclosed
EP-3426655-A1 SOLID STATE FORMS OF VENETOCLAX AND PROCESSES FOR PREPARATION OF VENETOCLAX Assia Chemical Industries Ltd. (IL) 2019-01-16 EP disclosed
CN-105209448-B Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2018-09-14 CN disclosed
CN-108516974-A Amide compounds for the treatment of HIV 吉利德科学公司 2018-09-11 CN disclosed
CN-105705500-B Amide compounds for the treatment of HIV 吉利德科学公司 2018-05-29 CN disclosed
CN-108017603-A Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2018-05-11 CN disclosed
WO-2017156398-A1 SOLID STATE FORMS OF VENETOCLAX AND PROCESSES FOR PREPARATION OF VENETOCLAX ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2017-09-14 WO disclosed
EP-3160967-A1 IMIDAZO[1,2-A]PYRAZIN-1YL-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. Hoffmann-La Roche AG (CH) 2017-05-03 EP disclosed
CN-105705500-A Amide compounds for the treatment of HIV 吉利德科学公司 2016-06-22 CN disclosed
CN-105492008-A Novel compounds and compositions for inhibition of fasn FORMA THERAPEUTICS INC 2016-04-13 CN disclosed
CN-105358151-A Compounds for treating spinal muscular atrophy HOFFMANN LA ROCHE 2016-02-24 CN disclosed
WO-2015197503-A1 IMIDAZO[1,2-A]PYRAZIN-1YL-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-12-30 WO disclosed
CN-105209448-A Tricyclic compounds and uses thereof SK CHEMICALS CO LTD 2015-12-30 CN disclosed
EP-2044058-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2009-04-08 EP disclosed
WO-2007148070-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-12-27 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 (3 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-20190135806-A1 SOLID STATE FORMS OF VENETOCLAX AND PROCESSES FOR PREPARATION OF VENETOCLAX MCL1, PROC, PRKX CES2 1532/4885CES1 1452/4885ALDH1A1 2583/4885
US-11001582-B2 Solid state forms of Venetoclax and processes for preparation of Venetoclax MCL1, BCL9, U2AF1 CES2 1500/4885CES1 1675/4885ALDH1A1 1722/4885
US-20210238175-A1 SOLID STATE FORMS OF VENETOCLAX AND PROCESSES FOR PREPARATION OF VENETOCLAX MCL1, PROC, PRKX CES2 1532/4885CES1 1452/4885ALDH1A1 2583/4885

“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.