SCHEMBL6168537

SCHEMBL6168537

Fc1cc(-c2ccccc2)ccc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
CHRM5 P08912 1/20 0.38
ALOX5 P09917 1/20 0.38
PTPN1 P18031 1/20 0.37
GSK3B P49841 1/20 0.37
FFAR1 O14842 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
DCLRE1A Q6PJP8 1/20 0.36
DCLRE1B Q9H816 1/20 0.36
CYP19A1 P11511 2/20 0.35
GBA1 P04062 2/20 0.35
LCT P09848 2/20 0.35
UGCG Q16739 2/20 0.35

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
SCHEMBL11508291 0.89 IDO1 (0.34) CYP11B1CYP11B2HSD17B1HSD17B2CYP19A1
SCHEMBL8167859 0.85 ALDH1A1 (0.40) ALDH1A1MAPK1CYP11B1CYP11B2HSD17B1
SCHEMBL5160117 0.81 DCLRE1A (0.43) ALDH1A1MAPK1ALOX5PTPN1GSK3B
SCHEMBL29064768 0.80 KIF11 (0.43) ALDH1A1CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL2574818 0.80 TAAR1 (0.48) ALDH1A1MAPK1CYP11B1CYP11B2HSD17B1
SCHEMBL23969672 0.80 CYP11B1 (0.39) ALDH1A1MAPK1CYP11B1CYP11B2HSD17B1
SCHEMBL17859649 0.80 FFAR1 (0.43) CYP11B1CYP11B2CHRM5FFAR1AKR1C2
SCHEMBL30083378 0.80 TAAR1 (0.48) ALDH1A1MAPK1CYP11B1CYP11B2HSD17B1
SCHEMBL19760427 0.79 CYP19A1 (0.41) CYP11B1CYP11B2HSD17B1HSD17B2CHRM5
SCHEMBL505221 0.78 NAAA (0.53) AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed
WO-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
US-11466048-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA NOVARTIS AG (CH) 2022-10-11 US disclosed
EP-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed
EP-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed
US-10676499-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA NOVARTIS AG (CH) 2020-06-09 US disclosed
US-20180002368-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-01-04 US disclosed
US-20180002368-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-01-04 US disclosed
WO-2016098028-A1 END CAPPED NUCLEIC ACID MOLECULES NOVARTIS AG (CH) 2016-06-23 WO disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 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 (6 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 ALDH1A1 487/4885MAPK1 3029/4885CYP11B1 753/4885
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 ALDH1A1 3871/4885MAPK1 4663/4885CYP11B1 4873/4885
US-11466048-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA RNGTT, NSUN3, NSUN2 ALDH1A1 3685/4885MAPK1 4633/4885CYP11B1 4880/4885
US-20180002368-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NSUN2, NSUN3, RNGTT ALDH1A1 4255/4885MAPK1 4596/4885CYP11B1 4868/4885
US-10676499-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA RNGTT, NSUN3, NSUN2 ALDH1A1 3685/4885MAPK1 4633/4885CYP11B1 4880/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 ALDH1A1 283/4885MAPK1 749/4885CYP11B1 1150/4885

“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.