SCHEMBL463311

SCHEMBL463311

CNc1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
ACHE P22303 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAT2A P31153 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
NLRP3 Q96P20 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.33
PDE4D Q08499 1/20 0.33

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
Hydrochloric Acid SCHEMBL29909089 0.97 KCNH2 (0.41) KCNH2ACHEKMT2AGAATAAR1
SCHEMBL5517869 0.85 ALDH1A1 (0.38) KCNH2ACHEKMT2AGAATAAR1
SCHEMBL9228264 0.85 ACHE (0.50) KCNH2ACHEALDH1A1NLRP3TSHR
SCHEMBL9228613 0.83 KCNH2 (0.46) KCNH2KMT2AGAATAAR1ALDH1A1
SCHEMBL28773561 0.83 PTGS2 (0.41) KCNH2ACHEKMT2AGAATAAR1
SCHEMBL13436019 0.83 KCNH2 (0.36) KCNH2ACHEKMT2AGAATAAR1
SCHEMBL28740358 0.83 KCNH2 (0.36) KCNH2ACHEKMT2AGAATAAR1
SCHEMBL4929104 0.83 HDAC1 (0.46) KCNH2ACHEKMT2AGAATAAR1
SCHEMBL5512079 0.83 PDE4D (0.38) KCNH2KMT2AGAAALDH1A1CES2
SCHEMBL5511699 0.81 TSHR (0.38) KCNH2ACHEKMT2AGAATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218206-B Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2022-03-04 CN claimed
CN-110526903-B Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2021-12-10 CN claimed
CN-119661516-A Bicyclic heterocyclic compounds, preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2025-03-21 CN disclosed
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed
EP-4265599-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-10-25 EP disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-06-22 US disclosed
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-06-22 US disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
CN-116209658-A Inhibitors of RHO-associated coiled coil kinase 安吉昂生物医药公司 2023-06-02 CN disclosed
WO-2023064584-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-8168663-B2 Pharmaceutically acceptable salt of 6-carboxy-2-(3,5 dichlorophenyl)-benzoxazole, and a pharmaceutical composition comprising the salt thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-15 US disclosed
EP-2308858-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-13 EP disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-13 US disclosed
CN-1279031-C Optically active herbicidal (R)-phenoxypropionic acid-N-methyl-N-2-fluorophenyl amides DONGBU HANNONG CHEMICAL CO LTD (KR) 2006-10-11 CN disclosed
CN-1558717-A Optically active (R) -phenoxypropionic acid-N-methyl-N-2-fluorophenylamide compounds having herbicidal activity ������ũ��ѧ��ʽ���� 2004-12-29 CN 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 (7 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KCNH2 801/4885ACHE 2624/4885KMT2A 2321/4885
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF EPHX1, EPHX2, NCEH1 KCNH2 4351/4885ACHE 100/4885KMT2A 3008/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KCNH2 500/4885ACHE 1393/4885KMT2A 2517/4885
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP KCNH2 4277/4885ACHE 1685/4885KMT2A 4571/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A KCNH2 3998/4885ACHE 235/4885KMT2A 2877/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KCNH2 64/4885ACHE 4738/4885KMT2A 3837/4885
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP KCNH2 4277/4885ACHE 1685/4885KMT2A 4571/4885

“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.