SCHEMBL20566564

SCHEMBL20566564

O=C(O)NCCCn1cnc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.43
PLAA Q9Y263 1/20 0.43
ALPG P10696 1/20 0.42
QPCT Q16769 7/20 0.41
ALDH1A1 P00352 1/20 0.37
CYP19A1 P11511 1/20 0.37
CPB2 Q96IY4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
QPCTL Q9NXS2 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
SCHEMBL26923675 0.79 CPB2 (0.49) QPCTALDH1A1CYP19A1CPB2
SCHEMBL7024536 0.77 CPB2 (0.40) QPCTCPB2
SCHEMBL2841698 0.77 KDM4E (0.45) QPCTALDH1A1SMN1; SMN2NPC1
SCHEMBL27032098 0.74 ALPL (0.43) ALPLPLAAALPGCPB2
SCHEMBL18990775 0.74 ALPL (0.39) ALPLPLAAALPGCPB2
SCHEMBL7025670 0.73 TAAR1 (0.52) ALDH1A1CYP19A1CPB2MEN1KMT2A
SCHEMBL21404585 0.71 CPB2 (0.34) ALPLPLAAQPCTCPB2
SCHEMBL9024736 0.71 CPB2 (0.40) ALPLPLAAALPGALDH1A1CPB2
SCHEMBL4393509 0.71 ALPL (0.40) ALPLPLAAALPGCPB2
SCHEMBL4393505 0.70 ALPL (0.47) ALPLPLAAALPGCPB2SMN1; SMN2

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-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 EP disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP. (US) 2022-01-25 US disclosed
EP-3390357-B1 BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-11-19 US disclosed
US-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2018-11-29 US 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 (3 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-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS BMX, BTK, ABCB11 ALPL 645/4885PLAA 1881/4885ALPG 3704/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX ALPL 728/4885PLAA 1379/4885ALPG 3773/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX ALPL 655/4885PLAA 1488/4885ALPG 3755/4885

“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.