SCHEMBL2635792

SCHEMBL2635792

O=C(O)CC(=O)c1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.63
GSK3B P49841 2/20 0.61
HDAC1 Q13547 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
OGG1 O15527 1/20 0.54
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL1305020 0.88 GSK3B (0.70) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL29249309 0.88 KMT2A (0.62) HAO1GSK3BCES1MEN1KMT2A
SCHEMBL751516 0.84 HPGD (0.74) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL28037967 0.83 HAO1 (0.89) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL9352579 0.81 TSHR (0.60) CES1CES2MEN1KMT2AHPGD
SCHEMBL11060497 0.80 OGG1 (0.63) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL394576 0.80 GSK3B (0.59) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL100952 0.80 NR4A2 (0.65) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL10649708 0.79 HAO1 (0.61) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL28972855 0.79 KMT2A (0.65) HAO1GSK3BHDAC1HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503601-A The method of level-one amine guiding building 6- (4- bromophenyl) indoles simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-03-22 CN claimed
CN-105503945-B A kind of method for preparing the Dicarbonyl derivatives of 2 phosphonate group 1,3 苏州大学 2017-09-05 CN claimed
CN-105503945-A Method for preparing 2-phosphonic acid ester base-1, 3-dicarbonyl derivative UNIV SOOCHOW 2016-04-20 CN claimed
WO-2024210074-A1 BENZOYLFORMIC ACID AMIDE DERIVATIVE KJケミカルズ株式会社 2024-10-10 WO disclosed
CN-118598836-A Method for asymmetrically synthesizing chiral trans-3, 4-dihydrocoumarin derivative 中北大学 2024-09-06 CN disclosed
CN-109503601-A The method of level-one amine guiding building 6- (4- bromophenyl) indoles simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-03-22 CN disclosed
CN-109503601-A The method of level-one amine guiding building 6- (4- bromophenyl) indoles simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-03-22 CN disclosed
CN-105503945-B A kind of method for preparing the Dicarbonyl derivatives of 2 phosphonate group 1,3 苏州大学 2017-09-05 CN disclosed
CN-104447707-B Hepatitis c virus inhibitors 百时美施贵宝公司 2017-04-12 CN disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
CN-105503945-A Method for preparing 2-phosphonic acid ester base-1, 3-dicarbonyl derivative UNIV SOOCHOW 2016-04-20 CN disclosed
WO-2012003164-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-05 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0412933-B1 Coating compositions CIBA GEIGY AG (CH) 1994-09-14 EP disclosed
US-5183842-A Mixture of ketoacid and amine with film-forming binder, curing CIBA-GEIGY CORPORATION (US) 1993-02-02 US disclosed
US-5128396-A Corrosion inhibiting primers on metallic substrates CIBA-GEIGY CORPORATION (US) 1992-07-07 US disclosed
EP-0412933-A1 Coating compositions CIBA-GEIGY AG (CH) 1991-02-13 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 (2 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-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS NQO2, MKI67, NQO1 HAO1 4252/4885GSK3B 674/4885HDAC1 881/4885
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HAO1 1636/4885GSK3B 3416/4885HDAC1 579/4885

“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.