SCHEMBL37993

SCHEMBL37993

[CH]1NNCC2CCCCC12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7815 0.75
SCHEMBL14740988 0.75
SCHEMBL37649 0.70
SCHEMBL216037 0.67 ALDH1A1 (0.50) ALDH1A1
SCHEMBL29144989 0.64 ALDH1A1 (0.47) ALDH1A1
SCHEMBL1476914 0.63 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1477516 0.63 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5159 0.63 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7283678 0.63 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18697460 0.62 ALDH1A1 (0.53) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191484-B1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2024-06-12 EP disclosed
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-11-02 US disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
EP-4143191-A2 BICYCLIC KINASE INHIBITORS AND USES THEREOF iOmx Therapeutics AG (DE) 2023-03-08 EP disclosed
EP-4139305-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF iOmx Therapeutics AG (DE) 2023-03-01 EP disclosed
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-02-10 US disclosed
US-20220024944-A1 COMPOUNDS TARGETING MUTANT CALRETICULIN MYELOPRO DIAGNOSTICS AND RESEARCH GMBH (AT) 2022-01-27 US disclosed
US-20210387982-A1 HETEROCYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-12-16 US disclosed
US-20210379067-A1 DASATINIB AND ANOTHER 5-THIAZOLECARBOXAMIDE KINASE INHIBITOR, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-12-09 US disclosed
WO-2021219731-A2 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-11-04 WO disclosed
US-20090203703-A1 Thienopyrimidine Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 US disclosed
EP-1908765-A1 THIENOPYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2008-04-09 EP disclosed
US-6071895-A RETROVIRAL PROTEASES INHIBITOR; USEFUL FOR TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS VIRAL INFECTIONS SUCH AS ACQUIRED IMMUNODEFICIENCY SYNDROME(AIDS); COMPOUND CONTAINING A CYCLIC DIAZAALKANE GROUP NARHEX LIMITED (HK) 2000-06-06 US disclosed
US-5888992-A PROTEASE INHIBITOR; VIRICIDE NARHEX LIMITED (HK) 1999-03-30 US disclosed
EP-0717736-A4 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LTD (HK) 1996-08-28 EP disclosed
EP-0717736-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1996-06-26 EP disclosed
WO-1995007269-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1995-03-16 WO disclosed
US-5192779-A Substituted-acetamide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-09 US disclosed
US-5066680-A NOVEL SUBSTITUTED-ACETAMIDE COMPOUND AND A PROCESS FOR THE PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-19 US disclosed
EP-0383256-A2 A novel substituted-acetamide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-22 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 (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-20210379067-A1 DASATINIB AND ANOTHER 5-THIAZOLECARBOXAMIDE KINASE INHIBITOR, AND USES THEREOF LCK, TEC, SRC ALDH1A1 1998/4885
US-20210387982-A1 HETEROCYCLIC KINASE INHIBITORS AND USES THEREOF LCK, SRC, CILK1 ALDH1A1 3214/4885
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF ABL1, PRKDC, PRKACA ALDH1A1 2606/4885
US-20220024944-A1 COMPOUNDS TARGETING MUTANT CALRETICULIN CALR, MCL1, CALD1 ALDH1A1 3712/4885
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR ALG1, NGLY1, SAT1 ALDH1A1 388/4885
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF MITF, PRKDC, PRKACA ALDH1A1 3047/4885
US-20090203703-A1 Thienopyrimidine Derivatives PDE9A, BPHL, THOP1 ALDH1A1 2303/4885

“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.