SCHEMBL945115

SCHEMBL945115

C1=[N+]Sc2ccccc2C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL284982 0.60 RYR2 (0.32) RYR2KDM4EALDH1A1HPGD
SCHEMBL130274 0.60 RYR2 (0.41) RYR2KDM4EALDH1A1HPGD
SCHEMBL29750990 0.60 RYR2 (0.32) RYR2KDM4EALDH1A1HPGD
SCHEMBL3077212 0.60 ALDH1A1 (0.44) RYR2KDM4EALDH1A1HPGDMAOA
SCHEMBL44494 0.60 RYR2 (0.32) RYR2KDM4EALDH1A1HPGD
SCHEMBL2873 0.59 RYR2 (0.31) RYR2KDM4EALDH1A1HPGD
SCHEMBL317331 0.59 RYR2 (0.31) RYR2KDM4EALDH1A1HPGDMAOA
SCHEMBL3070250 0.59 RYR2 (0.31) RYR2KDM4EALDH1A1HPGD
SCHEMBL4785009 0.59 MAOA (0.39) MAOAMAOB
SCHEMBL625812 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826466-B2 Bendamustine solution formulations NAVINTA, LLC (US) 2023-11-28 US disclosed
US-20210169798-A1 Bendamustine Solution Formulations PROVIDENT BANK 2021-06-10 US disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 US disclosed
EP-0851863-A1 PHENYLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1998-07-08 EP disclosed
WO-1997038996-A1 HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1997-10-23 WO disclosed
EP-0793645-A1 IMINOOXYMETHYLENE ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND PESTICIDES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 1997-09-10 EP disclosed
WO-1997018187-A1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-22 WO disclosed
WO-1997017328-A1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-05-15 WO disclosed
WO-1997016415-A1 PHENYLCARBAMATES, PROCESSES AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed
WO-1997013746-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-04-17 WO disclosed
WO-1997013747-A1 OXYAMINO OXIME ETHERS, METHODS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION, AND AGENTS CONTAINING THEM AND USED FOR CONTROLLING HARMFUL FUNGI AND PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-17 WO disclosed
WO-1997011065-A1 PHENYLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed
WO-1996016030-A1 IMINOOXYMETHYLENE ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND PESTICIDES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 1996-05-30 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-11826466-B2 Bendamustine solution formulations BHMT, BHMT2, BAD RYR2 4360/4885KDM4E 1508/4885ALDH1A1 267/4885
US-20210169798-A1 Bendamustine Solution Formulations BHMT, BHMT2, BAD RYR2 4360/4885KDM4E 1508/4885ALDH1A1 267/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RYR2 2306/4885KDM4E 1706/4885ALDH1A1 219/4885

“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.