SCHEMBL21040324

SCHEMBL21040324

COC(=O)c1cnc(OC)cc1C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.70
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
POLQ O75417 1/20 0.45
MEN1 O00255 2/20 0.44
PABPC1 P11940 1/20 0.44
ATM Q13315 1/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
ABL1 P00519 1/20 0.41
HPGD P15428 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40

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
SCHEMBL5956245 0.86 NNMT (0.56) NNMTKMT2AKDM4EALDH1A1POLQ
SCHEMBL26118926 0.85 NNMT (0.54) NNMTKMT2AKDM4EALDH1A1MEN1
SCHEMBL30570813 0.85 NNMT (0.54) NNMTKMT2AKDM4EALDH1A1MEN1
SCHEMBL34467338 0.84 NNMT (0.72) NNMTKMT2AKDM4EALDH1A1POLQ
SCHEMBL14448315 0.84 NNMT (0.72) NNMTKMT2AKDM4EALDH1A1POLQ
SCHEMBL5317877 0.82 NNMT (1.00) NNMTKMT2APOLQMEN1PABPC1
SCHEMBL5322723 0.82 NNMT (0.70) NNMTKMT2AKDM4EALDH1A1POLQ
Hydrochloric Acid SCHEMBL5321130 0.82 NNMT (0.70) NNMTKMT2AKDM4EALDH1A1POLQ
SCHEMBL4982191 0.82 NNMT (0.51) NNMTKMT2AKDM4EALDH1A1MEN1
SCHEMBL25652163 0.81 NNMT (0.46) NNMTKMT2AKDM4EALDH1A1POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854685-A Isoxazole-condensed ring derivative, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-10-10 CN disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
CN-109810041-B Halogenated allylamine SSAO/VAP-1 inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-08-15 CN disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-03-11 US disclosed
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-03-11 US disclosed
EP-3715341-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2020-09-30 EP disclosed
EP-3715341-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2020-09-30 EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
WO-2019101086-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-05-31 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 (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-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof VAPB, VAPA, ADRA1D NNMT 2450/4885KMT2A 4419/4885KDM4E 3905/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D NNMT 2450/4885KMT2A 4419/4885KDM4E 3905/4885

“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.