SCHEMBL20530680

SCHEMBL20530680

NCc1c(Cl)cccc1-c1cccc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.45
▸ AOC3 Q16853 1/20 0.44
▸ PRKCI P41743 1/20 0.42
▸ CSNK2A1 P68400 2/20 0.41
▸ HTR7 P34969 1/20 0.39
▸ MAOB P27338 2/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ FYN P06241 2/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ PNMT P11086 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL27894604 0.82 CYP2A6 (0.57) MAP2K4AOC3PRKCICSNK2A1MAOB
SCHEMBL6750130 0.76 PRKCI (0.54) MAP2K4AOC3PRKCIFYNACMSD
SCHEMBL12577777 0.74 MAP2K4 (0.53) MAP2K4PRKCIFYNACMSDCHRNB4
SCHEMBL20530656 0.74 PNMT (0.43) MAP2K4AOC3PRKCICSNK2A1MAOB
SCHEMBL15498628 0.74 PRKCI (0.55) PRKCIHTR7FYNACMSDCHRNB4
SCHEMBL1363132 0.73 DPP4 (0.46) PRKCIHTR7TAAR1FYNDPP4
SCHEMBL3726097 0.71 ALDH1A1 (0.57) PRKCIHTR7FYNLRRK2ACMSD
SCHEMBL12577791 0.71 HTR7 (0.51) MAP2K4PRKCIHTR7
SCHEMBL4191589 0.71 PRKCI (0.72) MAP2K4PRKCIFYNACMSDCHRNB4
SCHEMBL358974 0.70 PRKCI (0.44) MAP2K4PRKCIFYNLRRK2ACMSD

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 MAP2K4 4011/4885AOC3 1667/4885PRKCI 2782/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 MAP2K4 4011/4885AOC3 1667/4885PRKCI 2782/4885

“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.

Send feedback