SCHEMBL5363605

SCHEMBL5363605

BrCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.34
MAOA P21397 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSP90AB1 P08238 1/20 0.32
CYP19A1 P11511 3/20 0.31
KCNN4 O15554 1/20 0.30
KCNA3 P22001 1/20 0.30
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL8442070 0.83 NOTUM (0.34) NOTUMMAOAL3MBTL1CYP11B1CYP11B2
SCHEMBL6465900 0.83 NOTUM (0.53) NOTUML3MBTL1
SCHEMBL6464955 0.83 NOTUM (0.36) NOTUMMAOAL3MBTL1CYP11B1CYP11B2
SCHEMBL7986546 0.80 NOTUM (0.39) NOTUMMAOAL3MBTL1CYP19A1
SCHEMBL20309609 0.79 NOTUM (0.40) NOTUML3MBTL1HSP90AB1CYP19A1
SCHEMBL10813663 0.79 CYP19A1 (0.36) NOTUMMAOAL3MBTL1HSP90AB1CYP19A1
SCHEMBL7969705 0.76 NOTUM (0.41) NOTUMMAOAL3MBTL1CYP19A1ALDH1A1
SCHEMBL9089786 0.74 NAMPT (0.36) HSP90AB1CYP19A1TRPA1ALDH1A1TSHR
SCHEMBL5357577 0.74 CYP11B1 (0.37) MAOAL3MBTL1CYP11B1CYP11B2CYP19A1
SCHEMBL8442514 0.73 KDM1A (0.36) NOTUML3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 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 (1 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 NOTUM 4503/4885MAOA 1207/4885L3MBTL1 67/4885

“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.