SCHEMBL514759

SCHEMBL514759

[CH2]OCc1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.64
AGXT P21549 2/20 0.64
MAOB P27338 11/20 0.60
TAAR1 Q96RJ0 3/20 0.50
MAOA P21397 3/20 0.47
HCAR2 Q8TDS4 1/20 0.47
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL1767187 0.82 IDO1 (0.69) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL3159482 0.79 IDO1 (0.60) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL12256032 0.78 MAOB (0.66) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL1520772 0.78 IDO1 (1.00) IDO1AGXTMAOBTAAR1
SCHEMBL9347048 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL29830809 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL514760 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL31568444 0.77 TSHR (0.62) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL22469745 0.77 TSHR (0.62) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL6291712 0.77 IDO1 (0.62) IDO1AGXTMAOBTAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed
EP-0003261-B1 OXADITHIADIAZAPENTALENES, THEIR PREPARATION, FUNGICIDAL COMPOSITIONS CONTAINING THEM AND THE CONTROL OF FUNGI USING THEM CHEVRON RESEARCH COMPANY (US) 1981-12-30 EP disclosed
US-4179441-A REACTING SULFUR HALIDE WITH N-CYANOMETHYLCARBOXAMIDE; CYCLIZATION CHEVRON RESEARCH COMPANY (US) 1979-12-18 US disclosed
EP-0003261-A1 Oxadithiadiazapentalenes, their preparation, fungicidal compositions containing them and the control of fungi using them CHEVRON RESEARCH COMPANY (US) 1979-08-08 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 IDO1 2656/4885AGXT 651/4885MAOB 3755/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 912/4885AGXT 1290/4885MAOB 700/4885

“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.