SCHEMBL2717142

SCHEMBL2717142

BrCc1ccc(-c2ccccc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.59
CYP11B2 P19099 13/20 0.59
CYP3A4 P08684 1/20 0.51
LDHA P00338 1/20 0.47
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HPGDS O60760 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2891450 0.83 CCR1 (0.40) CYP11B1CYP11B2CYP3A4TRPA1ALDH1A1
SCHEMBL29574545 0.83 CCR1 (0.40) CYP11B1CYP11B2CYP3A4TRPA1ALDH1A1
SCHEMBL9805438 0.82 RAB9A (0.63) CYP11B1CYP11B2NPC1NFKB1MAPK1
SCHEMBL8187876 0.81 GRM2 (0.49) CYP11B1CYP11B2ALDH1A1NPC1NFKB1
SCHEMBL18291876 0.80 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4LDHAHPGDS
SCHEMBL20122190 0.80 CYP11B1 (0.80) CYP11B1CYP11B2CYP3A4LDHAHPGDS
SCHEMBL146559 0.80 NPC1 (0.65) CYP11B1CYP11B2CYP3A4LDHANPC1
SCHEMBL2412899 0.80 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4LDHAHPGDS
SCHEMBL1720975 0.80 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4LDHAHPGDS
SCHEMBL2411349 0.80 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4LDHAHPGDS

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 37 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-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (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
EP-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
US-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US disclosed
US-20070176540-A1 Transition metal complex compound and organic electroluminescence device using the compound IDEMITSU KOSAN CO., LTD. (JP) 2007-08-02 US disclosed
US-20070176540-A1 Transition metal complex compound and organic electroluminescence device using the compound IDEMITSU KOSAN CO., LTD. (JP) 2007-08-02 US disclosed
US-20040077867-A1 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 US disclosed
US-6310107-B1 (+)-6-(4-BIPHENYLYL)METHOXY-2-(2-(N,N-DIMETHYLAMINO)ETHYL)TETR ALIN, OR A SALT IS USEFUL FOR INHIBITING PRODUCTION AND/OR SECRETION OF AMYLOID-BETA PROTEIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 US disclosed
EP-0971878-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2000-01-19 EP disclosed
WO-1998038156-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-03 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 (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-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 CYP11B1 4873/4885CYP11B2 4879/4885CYP3A4 4872/4885
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP CYP11B1 2035/4885CYP11B2 2388/4885CYP3A4 4229/4885
US-20070176540-A1 Transition metal complex compound and organic electroluminescence device using the compound TMCO1, TIMCC, EMC2 CYP11B1 3817/4885CYP11B2 3438/4885CYP3A4 1379/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 CYP11B1 172/4885CYP11B2 232/4885CYP3A4 1447/4885
US-11466048-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA RNGTT, NSUN3, NSUN2 CYP11B1 4880/4885CYP11B2 4881/4885CYP3A4 4871/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 CYP11B1 1150/4885CYP11B2 1452/4885CYP3A4 72/4885

“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.