SCHEMBL20530635

SCHEMBL20530635

COC(=O)c1ccnc(-c2ccc(Cl)cc2C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.52
KDM4E B2RXH2 4/20 0.52
KDM6B O15054 2/20 0.52
KDM5C P41229 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
KDM3A Q9Y4C1 2/20 0.52
JMJD6 Q6NYC1 1/20 0.47
KDM5B Q9UGL1 4/20 0.41
SCN9A Q15858 1/20 0.41
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM5A P29375 2/20 0.40
ALPL P05186 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
ACLY P53396 1/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39

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
SCHEMBL580482 0.83 KDM4C (0.58) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL3075295 0.82 KDM4C (0.57) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL25276540 0.81 KDM4E (0.58) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL581298 0.80 KDM4C (0.55) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL9909212 0.80 NR1H4 (0.40) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL1330582 0.78 KDM4E (0.52) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL1330018 0.77 KDM4C (0.48) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL582048 0.76 KDM4C (0.50) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL1331181 0.76 KDM4E (0.50) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL25002924 0.76 KDM4C (0.63) KDM4CKDM4EKDM6BKDM5CKDM2A

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
CN-110494442-B Peptide macrocycles and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2023-07-25 CN disclosed
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
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 KDM4C 3500/4885KDM4E 4160/4885KDM6B 3913/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 KDM4C 3500/4885KDM4E 4160/4885KDM6B 3913/4885

“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.