SCHEMBL305883

SCHEMBL305883

N#Cc1ccc(CBr)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.42
MAOA P21397 6/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
TRPV4 Q9HBA0 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SNCA P37840 1/20 0.33
BACE1 P56817 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
BLM P54132 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL27717695 0.84 KCNJ1 (0.44) MAOBMAOAKCNJ1KCNH2TRPV4
SCHEMBL15716128 0.83 MAOB (0.39) MAOBMAOATRPV4SNCACYP1A2
SCHEMBL5066101 0.83 MAOB (0.49) MAOBMAOATRPV4SNCACYP1A2
SCHEMBL1362429 0.82 LOXL2 (0.47) MAOBMAOAKCNJ1KCNH2TRPV4
SCHEMBL4269850 0.82 CYP2A6 (0.47) MAOBMAOAKCNJ1KCNH2TRPV4
SCHEMBL7571054 0.82 MAOB (0.41) MAOBMAOAKCNJ1KCNH2TRPV4
SCHEMBL17194382 0.81 HRH3 (0.41) MAOBMAOAKCNJ1KCNH2CYP1A2
Hydrochloric Acid SCHEMBL1365033 0.80 LOXL2 (0.45) MAOBMAOAKCNJ1KCNH2TRPV4
SCHEMBL2726016 0.79 KCNJ1 (0.43) MAOBMAOAKCNJ1KCNH2SNCA
SCHEMBL2722675 0.79 MAOB (0.42) MAOBMAOAKCNJ1KCNH2TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-12-05 US disclosed
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
EP-4168394-A1 AMIDOPYRIMIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-26 EP disclosed
CN-115867541-A Aminopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-03-28 CN disclosed
WO-2021259815-A1 AMIDOPYRIMIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-30 WO disclosed
EP-3089966-B1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE ESTRYX PHARMA LTD (GB) 2020-10-21 EP disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 WO disclosed
CN-106470974-B For treating the compound of virus infection 韩国巴斯德研究所 2019-07-16 CN disclosed
EP-3131890-B1 COMPOUNDS FOR TREATING VIRAL INFECTIONS PASTEUR INSTITUT KOREA (KR) 2019-04-24 EP disclosed
EP-3131890-B1 COMPOUNDS FOR TREATING VIRAL INFECTIONS PASTEUR INSTITUT KOREA (KR) 2019-04-24 EP disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
EP-1931337-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
EP-1931660-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
WO-2007039177-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039177-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 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-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 MAOB 1186/4885MAOA 2005/4885KCNJ1 67/4885
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors FNTA, FNTB, SLC10A1 MAOB 1651/4885MAOA 2136/4885KCNJ1 4169/4885
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 MAOB 1186/4885MAOA 2005/4885KCNJ1 67/4885

“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.