SCHEMBL20530665

SCHEMBL20530665

NCc1cc(Cl)ccc1-c1cc(CO)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
SHMT1 P34896 1/20 0.40
LOXL2 Q9Y4K0 4/20 0.39
LOX P28300 1/20 0.39
LOXL3 P58215 1/20 0.39
KRAS P01116 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FYN P06241 1/20 0.32
KMO O15229 1/20 0.32
TTR P02766 1/20 0.32
CYP2A6 P11509 1/20 0.32
AGPAT2 O15120 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 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
SCHEMBL30466817 0.88 RECQL (0.43) RECQLSHMT1LOXL2LOXLOXL3
SCHEMBL27823079 0.76 AAK1 (0.35) LOXL2LOXLOXL3CYP2A6DPP4
SCHEMBL6819312 0.75 PIEZO1 (0.44) LOXL2MAPTMEN1KMT2A
SCHEMBL20530656 0.74 PNMT (0.43) SHMT1MRGPRX4MEN1KMT2AFYN
SCHEMBL4772393 0.73 RECQL (0.56) RECQLSHMT1LOXL2KRASMAPT
SCHEMBL29393772 0.72 RECQL (0.61) RECQLLOXL2KRASPDCD1CD274
SCHEMBL1411265 0.72 RECQL (0.61) RECQLLOXL2KRASPDCD1CD274
SCHEMBL2407289 0.71 RECQL (0.53) RECQLSHMT1KRASMAPTMEN1
SCHEMBL8184254 0.70 RECQL (0.51) RECQLSHMT1LOXL2KRASMEN1
SCHEMBL27602559 0.69 LOXL2 (0.60) RECQLLOXL2LOXLOXL3FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609905-B1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
US-11091514-B2 Peptide macrocycles and use thereof in the treatment of bacterial infections HOFFMANN-LA ROCHE INC. (US) 2021-08-17 US disclosed
EP-3609905-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS H. Hoffnabb-La Roche Ag (CH) 2020-02-19 EP disclosed
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 2020-02-06 US disclosed
CN-110494442-A The big ring of peptide and its purposes in treatment bacterium infection HOFFMANN LA ROCHE 2019-11-22 CN disclosed
WO-2018189063-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2018-10-18 WO disclosed
EP-3388445-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2018-10-17 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 (2 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-11091514-B2 Peptide macrocycles and use thereof in the treatment of bacterial infections VIP, NPY5R, CXCR3 RECQL 256/4885SHMT1 4764/4885LOXL2 3556/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 RECQL 256/4885SHMT1 4764/4885LOXL2 3556/4885

“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.