SCHEMBL1246501

SCHEMBL1246501

Brc1ccc2c(c1)NCCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.47
ASIC3 Q9UHC3 1/20 0.47
PARP10 Q53GL7 2/20 0.43
PARP1 P09874 1/20 0.43
CMA1 P23946 1/20 0.42
AHR P35869 1/20 0.42
KDR P35968 2/20 0.40
PARP11 Q9NR21 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
GFER P55789 1/20 0.36
MAOA P21397 1/20 0.36

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 SCHEMBL31437001 0.98 PNMT (0.46) PNMTASIC3PARP10PARP1CMA1
SCHEMBL29417773 0.94 PNMT (0.48) PNMTASIC3PARP10PARP1CMA1
SCHEMBL596333 0.94 PNMT (0.48) PNMTASIC3PARP10PARP1CMA1
Hydrochloric Acid SCHEMBL16397223 0.92 PNMT (0.47) PNMTASIC3PARP10PARP1CMA1
SCHEMBL29414378 0.86 PNMT (0.57) PNMTASIC3PARP10PARP1CMA1
SCHEMBL1612916 0.86 PNMT (0.57) PNMTASIC3PARP10PARP1CMA1
SCHEMBL1264264 0.85 KDM4E (0.49) PNMTASIC3PARP10PARP1KDR
Hydrochloric Acid SCHEMBL595700 0.84 PNMT (0.55) PNMTASIC3PARP10PARP1CMA1
SCHEMBL1556861 0.78 MAPT (0.54) PNMTASIC3PARP10PARP1KDR
SCHEMBL25058873 0.77 HTR2A (0.46) PNMTPARP10PARP1CMA1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114345-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A/ SK LIFE SCIENCE LABS 2025-04-10 US disclosed
WO-2025049994-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A SK LIFE SCIENCE LABS (US) 2025-03-06 WO disclosed
CN-117229275-B Novel 2-acetamido thiazole compound and preparation method and application thereof 北京中医药大学 2024-06-18 CN disclosed
CN-117229275-A Novel 2-acetamido thiazole compound and preparation method and application thereof 北京中医药大学 2023-12-15 CN disclosed
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHONGZE THERAPEUTICS, CO. LTD. (CN) 2023-05-25 US disclosed
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHONGZE THERAPEUTICS, CO. LTD. (CN) 2023-05-25 US disclosed
CN-115413275-A Substituted 1,1 , -biphenyl compounds and methods of use thereof 爱彼特生物制药公司 2022-11-29 CN disclosed
WO-2022213975-A1 COMPOUNDS TARGETING Y220C MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-10-13 WO disclosed
WO-2021208945-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海中泽医药科技有限公司 2021-10-21 WO disclosed
EP-1904069-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2018-06-13 EP disclosed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2008046046-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
EP-1904069-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2008-04-02 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 US disclosed
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse AMR TECHNOLOGY, INC. (US) 2007-01-25 US disclosed
WO-2007011820-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2007-01-25 WO disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 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 (4 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 PNMT 2406/4885ASIC3 3327/4885PARP10 1128/4885
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HDAC11, HDAC1, HDAC6 PNMT 4039/4885ASIC3 2860/4885PARP10 1402/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 PNMT 154/4885ASIC3 1579/4885PARP10 1467/4885
US-20250114345-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF EP300, CREBBP, HDAC1 PNMT 3769/4885ASIC3 4644/4885PARP10 244/4885

“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.