SCHEMBL2013864

SCHEMBL2013864

COC(=O)c1nc(N)c(Br)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 3/20 0.38
RCE1 Q9Y256 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
XDH P47989 1/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL2257139 0.86 NPSR1 (0.44) NPSR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27388974 0.86 NPSR1 (0.44) NPSR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29756168 0.86 NPSR1 (0.44) NPSR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3243373 0.85 NPSR1 (0.42) NPSR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30106070 0.85 NPSR1 (0.42) NPSR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5259355 0.85 NPSR1 (0.42) NPSR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30317190 0.85 NPSR1 (0.42) NPSR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29756239 0.85 NPSR1 (0.42) NPSR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21751512 0.85 NPSR1 (0.42) NPSR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3247954 0.85 KDM4E (0.44) NPSR1KDM4EALDH1A1HPGDSMN1; 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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4172157-B1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2025-11-19 EP disclosed
US-12077537-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2024-09-03 US disclosed
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
EP-4172157-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-05-03 EP disclosed
CN-115996925-A Capsid inhibitors for the treatment of HIV 吉利德科学公司 2023-04-21 CN disclosed
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
CN-1535272-A Nitrogen-containing bicyclic heterocycles ʷ 2004-10-06 CN disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 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 (5 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 NPSR1 1399/4885KDM4E 3867/4885ALDH1A1 3787/4885
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 NPSR1 4660/4885KDM4E 1624/4885ALDH1A1 3650/4885
US-12077537-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 NPSR1 4660/4885KDM4E 1624/4885ALDH1A1 3650/4885
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents NCF1, TEAD1, TYMS NPSR1 764/4885KDM4E 3129/4885ALDH1A1 1742/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 NPSR1 4660/4885KDM4E 1624/4885ALDH1A1 3650/4885

“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.