SCHEMBL5080945

SCHEMBL5080945

O=C(Nc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.86
KMT2A Q03164 5/20 0.86
TP53 P04637 3/20 0.80
HDAC2 Q92769 1/20 0.75
HDAC8 Q9BY41 1/20 0.75
HDAC6 Q9UBN7 1/20 0.75
PTPN1 P18031 2/20 0.71
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.67
MAPK1 P28482 1/20 0.67
POLB P06746 2/20 0.66
MAOA P21397 1/20 0.66
MAOB P27338 1/20 0.66
CYP11B1 P15538 1/20 0.65
CYP11B2 P19099 1/20 0.65
SIRT1 Q96EB6 1/20 0.63
KDM4E B2RXH2 1/20 0.63
HTT P42858 1/20 0.61
KCNK3 O14649 1/20 0.60
KCNK9 Q9NPC2 1/20 0.60

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
SCHEMBL1965784 0.92 MEN1 (0.80) MEN1KMT2ATP53HDAC2HDAC8
Iodide SCHEMBL30758563 0.90 MEN1 (0.77) MEN1KMT2ATP53HDAC2HDAC8
SCHEMBL21798720 0.90 KMT2A (0.76) MEN1KMT2ATP53RAB9ANPC1
SCHEMBL3679372 0.90 KMT2A (0.76) MEN1KMT2ATP53RAB9ANPC1
SCHEMBL1315526 0.89 PTPN1 (0.87) MEN1KMT2AHDAC2HDAC8HDAC6
SCHEMBL12310041 0.89 KMT2A (1.00) MEN1KMT2ATP53RAB9ANPC1
SCHEMBL14715847 0.87 PTPN1 (0.84) MEN1KMT2AHDAC2HDAC8HDAC6
SCHEMBL16583981 0.86 KMT2A (0.74) MEN1KMT2ATP53HDAC2HDAC8
SCHEMBL16592202 0.86 KMT2A (0.74) MEN1KMT2ATP53HDAC2HDAC8
SCHEMBL14643098 0.86 HDAC8 (1.00) MEN1KMT2ATP53HDAC2HDAC8

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP claimed
US-5672751-A TREATMENT OF A HALOBENZAMIDE WITH AN ALKANETHIOL IN THE PRESENCE OF A PHASE TRANSFER CATALYST SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-09-30 US claimed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP claimed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP claimed
CN-117186066-A Indazole ALK5 inhibitor and preparation method and application thereof 中国药科大学 2023-12-08 CN disclosed
CN-115057794-B Method for removing methylation of cerium catalytic oxidation amide by visible light induction 桂林理工大学 2023-11-17 CN disclosed
CN-114213416-B Irreversible BTK inhibitor with oxazolo [4,5-b ] pyridine structure and application thereof 杭州医学院 2023-06-06 CN disclosed
CN-110483582-B Aza-carbene-palladium complex crystal, synthesis method thereof and application thereof in preparing amide compound 陕西师范大学 2023-02-10 CN disclosed
CN-113174056-B Copper-containing coordination polymer based on asymmetric indole dicarboxylic acid, and preparation method and application thereof 江南大学 2022-10-11 CN disclosed
CN-115057794-A Novel method for removing methylation of cerium-induced catalytic oxidation amide by visible light 桂林理工大学 2022-09-16 CN disclosed
CN-114276270-A Synthesis method of compound with amido bond 湖北文理学院 2022-04-05 CN disclosed
CN-114213416-A Irreversible BTK inhibitor with oxazolo [4,5-b ] pyridine structure and application thereof 杭州医学院 2022-03-22 CN disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP disclosed
US-5744609-A REACTING AN ALKYLTHIOBENZAMIDE WITH A HALOGEN IN A HETEROGENOUS SOLVENT TO GIVE ALKYLSULFURYLBENZAMIDES INTERMEDIATES; USEFUL ANTIBACTERIAL AND ANTIFUNGAL AGENT SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-04-28 US disclosed
US-5672751-A TREATMENT OF A HALOBENZAMIDE WITH AN ALKANETHIOL IN THE PRESENCE OF A PHASE TRANSFER CATALYST SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-09-30 US disclosed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP disclosed
US-5514740-A SHEET OR FILM HAVING CUPRIC SULFIDE DISPERSED THEREIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-07 US disclosed
US-5508416-A HALOGENATING A 2-(ALKYLTHIO)BENZAMIDE, CYCLIZATION TO HETERO RING AND N-S LINKAGE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-04-16 US disclosed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 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 (1 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 MEN1 2274/4885KMT2A 3670/4885TP53 166/4885

“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.