Sugi Predict

Sugi Predict / Compounds / SCHEMBL5140992

SCHEMBL5140992

SCHEMBL5140992

O=C(NO)C1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 1.00
▸ HDAC8 Q9BY41 1/20 1.00
▸ CES2 O00748 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ EPHX1 P07099 1/20 0.52
▸ TSHR P16473 3/20 0.52
▸ MAPK1 P28482 1/20 0.48
▸ HSD11B1 P28845 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NAAA Q02083 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CETP P11597 1/20 0.41

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
SCHEMBL18513474 1.00 HDAC6 (1.00) HDAC6HDAC8CES2CES1EPHX1
SCHEMBL3077769 1.00 HDAC6 (1.00) HDAC6HDAC8CES2CES1EPHX1
SCHEMBL14050751 1.00 HDAC6 (1.00) HDAC6HDAC8CES2CES1EPHX1
SCHEMBL18513475 1.00 HDAC6 (1.00) HDAC6HDAC8CES2CES1EPHX1
Hydrochloric Acid SCHEMBL27745682 0.97 HDAC6 (0.95) HDAC6HDAC8CES2CES1EPHX1
Potassium SCHEMBL32681950 0.97 HDAC6 (0.95) HDAC6HDAC8CES2CES1EPHX1
SCHEMBL17980862 0.97 — —
SCHEMBL4787787 0.92 — —
SCHEMBL4100806 0.85 — —
Hydrochloric Acid SCHEMBL28105943 0.82 — —

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
CN-106163524-A 7-benzyl-4- (2-methylbenzyl) -2,4,6,7,8, 9-hexahydroimidazo [1,2-a ] pyrido [3,4-e ] pyrimidin-5 (1H) -one, salts thereof, and methods of use 昂克希尔迪克斯有限公司 2016-11-23 — — CN claimed
CN-116942672-A Crystalline salts of B-RAF kinase inhibitors 徐诺药业公司 2023-10-27 — — CN disclosed
CN-111818924-B Crystalline salts of B-RAF kinase inhibitors 徐诺药业公司 2023-08-15 — — CN disclosed
CN-111440164-B 6-alkynyl-pyridine derivatives 勃林格殷格翰国际有限公司 2023-02-17 — — CN disclosed
CN-114377137-A Combination of LSD1 inhibitors for the treatment of hematologic malignancies 奥莱松基因组股份有限公司 2022-04-22 — — CN disclosed
CN-109462980-B Combination of LSD1 inhibitors for the treatment of hematologic malignancies 奥莱松基因组股份有限公司 2022-02-08 — — CN disclosed
US-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates NORTHEASTERN UNIVERSITY (US) 2021-09-28 — — US disclosed
CN-111818924-A Crystalline salts of B-RAF kinase inhibitors 徐诺药业公司 2020-10-23 — — CN disclosed
CN-106573930-B 6-alkynyl-pyridine derivatives as SMAC mimetics 勃林格殷格翰国际有限公司 2020-03-03 — — CN disclosed
US-10570102-B2 Synthesis of benzodiazepine derivatives TRIO MEDICINES LIMITED (GB) 2020-02-25 — — US disclosed
CN-106573930-A 6-alkynyl-pyridine derivatives 勃林格殷格翰国际有限公司 2017-04-19 — — CN disclosed
CN-104169257-B 6-alkynyl-pyridines as SMAC mimetics 勃林格殷格翰国际有限公司 2017-01-18 — — CN disclosed
CN-106163524-A 7-benzyl-4- (2-methylbenzyl) -2,4,6,7,8, 9-hexahydroimidazo [1,2-a ] pyrido [3,4-e ] pyrimidin-5 (1H) -one, salts thereof, and methods of use 昂克希尔迪克斯有限公司 2016-11-23 — — CN disclosed
CN-104870448-A Triazolopyrazines BOEHRINGER INGELHEIM INT 2015-08-26 — — CN disclosed
CN-104169257-A 6-alkynyl-pyridines as SMAC mimetics BOEHRINGER INGELHEIM INT 2014-11-26 — — CN disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 — — US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 — — US disclosed
EP-1937643-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-07-02 — — EP disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 — — WO disclosed
WO-2007109160-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — 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-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates GLUL, QPCT, DNPEP HDAC6 3082/4885HDAC8 2376/4885CES2 256/4885
US-10570102-B2 Synthesis of benzodiazepine derivatives GABRE, GABRA1, GABRA5 HDAC6 768/4885HDAC8 1782/4885CES2 553/4885
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA HDAC6 44/4885HDAC8 100/4885CES2 463/4885

“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.